Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Herbal Extract  /  Organic Intermediates  /  Pharmaceutical Intermediates  /  Laboratory Chemicals
STOCK3S-95496 structure
STOCK3S-95496 structure

STOCK3S-95496

Iupac Name:5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CAS No.:152-95-4
Molecular Weight:432.38
1. Names and Identifiers
1.1 Name
STOCK3S-95496
1.2 Synonyms

5-(2-fluorophenyl)-4-((3-methylbenzylidene)amino)-4h-1,2,4-triazole-3-thiol 5-(2-fluorophenyl)-4-{[(e)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3h-1,2,4-triazole-3-thione AK287163 AKOS005511370 AKOS024320327 MOLPORT-000-787-825 MOLPORT-001-859-080 STK588609

1.3 CAS No.
152-95-4
1.4 CID
5321398
1.5 Molecular Formula
C19H22N2O4 (isomer)
1.6 Inchi
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
1.7 InChkey
ISQRJFLLIDGZEP-CMWLGVBASA-N
1.8 Canonical Smiles
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
1.9 Isomers Smiles
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
2. Properties
3.1 Melting Point
285 ºC
3.2 Vapour
1.7E-24mmHg at 25°C
3.3 Refractive Index
1.717
3.4 Alpha
D20 -47° (pyridine); D20 -32° (10% aq pyridine)
3. Safety and Handling
4.1 Safety Statements
22-24/25
4.2 HazardClass
8
4. 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

5. Computational chemical data
  • Molecular Weight:432.38g/mol
  • Molecular Formula:C19H22N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:432.10564683
  • Monoisotopic Mass:432.10564683
  • Complexity:675
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:166
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:5
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global85SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory Supply Sophoricoside CAS 152-95-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/08/10
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Sophoricoside
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
  • Email:bobtang@hzclap.com
Sophoricoside
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/12/26
Inquire
  • Products:Specialize in fine chemicals,mainly manufacture pure botanical monomers ; Traditional Chinese Medicine references standards;Chemical reagents
  • Tel:86-28-82610909
Sophoricoside
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/20mg
  • Time: 2020/10/30
Inquire
  • Products:phytochemicals; natural plant active ingredient monomer;reference standards of TCM(Traditional Chinese Medicine)
  • Tel:86-28-85249238
Sophoricoside
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2018/12/28
Inquire