Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Feed Additives  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Animal Pharmaceuticals  /  Others
ZINC46813490 structure
ZINC46813490 structure

ZINC46813490

Iupac Name:(E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one
CAS No.:81810-66-4
Molecular Weight:306.321
1. Names and Identifiers
1.1 Name
ZINC46813490
1.2 Synonyms

3-chloro-n-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-n-methylbenzene-1-sulfonamide 3-chloro-n-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-n-methylbenzenesulfonamide AKOS008123542 BG00661830 MCULE-4651803230 MOLPORT-010-105-359 Z369311074

1.3 CAS No.
81810-66-4
1.4 CID
5387181
1.5 Molecular Formula
C14H17NO3 (isomer)
1.6 Inchi
InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3/b12-11+
1.7 InChkey
IOKWXGMNRWVQHX-VAWYXSNFSA-N
1.8 Canonical Smiles
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3
1.9 Isomers Smiles
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)/C=C/C3=CC=CC=C3
2. Properties
3.1 Melting point
183-188℃
3.1 Precise Quality
306.10000
3.1 PSA
67.99000
3.1 logP
3.90130
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:306.321g/mol
  • Molecular Formula:C14H17NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:306.10044231
  • Monoisotopic Mass:306.10044231
  • Complexity:547
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.4
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
Global90SuppliersView all >>
  • Products:CBD,443998-65-0,16648-44-5,BMK,PMK
  • Tel:86-191-31911055
  • Email:admin@hbbocao.com
Factory supply Quinocetone CAS 81810-66-4 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/10
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory supply Quinocetone CAS 81810-66-4 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Quinocetone
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/27
Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
Quinocetone
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/27
Inquire
  • Products:Pharmaceutical, pharmaceutical intermediat,hormone powders
  • Tel:86-27-59335372
Supply Quinocetone(CAS: 81810-66-4)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2016/09/29
Inquire