2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide
TL;DR: 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide (CAS 379253-79-9) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enethioamide
Also Known As: 2-cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide, (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enethioamide
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.90548 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 561.7421 |
Chemical Identifiers
| CAS Number | 379253-79-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=C(\C#N)/C(=S)N)OC)OC |
Product Overview
2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide (CAS 379253-79-9), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide
Property Insights of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide
The XLogP value of 1.90548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide. Following Lipinski's Rule of Five, 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide has 1 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-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide?
The CAS number of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide is 379253-79-9.
What is the molecular formula of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide?
The molecular formula of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide is C13H14N2O3S.
What is the molecular weight of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide?
The molecular weight of 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide is 278.07 g/mol.
Where can I buy 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide?
You can request a quote for 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(2,4,5-trimethoxyphenyl)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.