Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Antineoplastic Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals
ZINC61720111 structure
ZINC61720111 structure

ZINC61720111

Iupac Name:4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-
methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid
CAS No.:475207-59-1
Molecular Weight:637.02657
1. Names and Identifiers
1.1 Name
ZINC61720111
1.2 Synonyms

2-[3-(4-chlorophenyl)-6-oxo-1(6h)-pyridazinyl]-n~1~-isobutylacetamide 2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6h)-yl]-n-(2-methylpropyl)acetamide 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-n-(2-methylpropyl)acetamide AKOS005755466 BG00648583 MCULE-6702461918 MOLPORT-009-763-499 STL155265

1.3 CAS No.
475207-59-1
1.4 CID
406563
1.5 Molecular Formula
C13H19FN2O (isomer)
1.6 Inchi
InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
1.7 InChkey
IVDHYUQIDRJSTI-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
1.9 Isomers Smiles
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
2. Properties
3.1 Melting point
240-243°C
3.1 Precise Quality
636.10600
3.1 PSA
155.10000
3.1 logP
8.40910
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.1 Safety Statements
28-26
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:637.02657g/mol
  • Molecular Formula:C13H19FN2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:636.1057179
  • Monoisotopic Mass:636.1057179
  • Complexity:853
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:155
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
6. Question & Answer
  • Uses Sorafenib is used to treat kidney, liver, and thyroid cancer. It is a chemotherapy drug that works by slowing or stopping the growth of cancer cells. How to use Sorafenib Tablet Read the Patient Information Leaflet if available from your pharmacist before you start taking sorafenib and each ti...
7. Recommended Suppliers
Global340SuppliersView all >>
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Sorafenib Tosylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/27
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Sorafenib tosylateCAS NO.: 475207-59-1
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/kilogram
  • Time: 2022/05/26
Inquire
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
Sorafenib tosylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Sorafenib Tosylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory supply Sorafenib tosylate Cas 475207-59-1 with high quality and best price
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/27
Inquire