Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-
TL;DR: Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- (CAS 73791-07-8) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,3-dicyano-2-(4-methylsulfanylphenyl)prop-2-enyl]acetamide
Also Known As: CINNAMONITRILE, beta-ACETAMIDOMETHYL-alpha-CYANO-p-(METHYLTHIO)-, Acetamide, N-(3,3-dicyano-2-(4-(methylthio)phenyl)-2-propenyl)-, alpha-Cyano-beta-acetamidomethyl-4-methylmercaptocinnamonitrile, N-[3,3-dicyano-2-(4-methylsulfanylphenyl)prop-2-enyl]acetamide, N-{3,3-dicyano-2-[4-(methylsulfanyl)phenyl]prop-2-en-1-yl}acetamide
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 73791-07-8 |
|---|---|
| SMILES | CC(=O)NCC(=C(C#N)C#N)C1=CC=C(C=C1)SC |
| InChIKey | CLSSVUOUSYOGKL-UHFFFAOYSA-N |
Product Overview
Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- (CAS 73791-07-8), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: N-[3,3-dicyano-2-(4-methylsulfanylphenyl)prop-2-enyl]acetamide.
Chemical Property Profile of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-
Property Insights of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-. Following Lipinski's Rule of Five, Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- has 1 hydrogen bond donor(s) and 4 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 Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-?
The CAS number of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- is 73791-07-8.
What is the molecular formula of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-?
The molecular formula of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- is C14H13N3OS.
What is the molecular weight of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-?
The molecular weight of Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- is 271.08 g/mol.
Where can I buy Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-?
You can request a quote for Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.