2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-
TL;DR: 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- (CAS 107788-07-8) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[3,4-dihydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Also Known As: 2-Cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide, 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-, (E)-2-cyano-3-[3,4-dihydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide, RefChem:1064442
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.78238 |
| Topological Polar Surface Area | 107.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 795.4761 |
Chemical Identifiers
| CAS Number | 107788-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(C(=CC(=C2)/C=C(\C#N)/C(=O)N)O)O |
Product Overview
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- (CAS 107788-07-8), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: (E)-2-cyano-3-[3,4-dihydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide.
Chemical Property Profile of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-
Property Insights of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-
The XLogP value of 2.78238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-. The TPSA of 107.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-. Following Lipinski's Rule of Five, 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-?
The CAS number of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- is 107788-07-8.
What is the molecular formula of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-?
The molecular formula of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- is C17H14N2O3S.
What is the molecular weight of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-?
The molecular weight of 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- is 326.07 g/mol.
Where can I buy 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-?
You can request a quote for 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.