(2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide
TL;DR: (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide (CAS 330832-12-7) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide
Also Known As: (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide, (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide, 3-amino-2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile, (E)-3-amino-2-[(Z)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile, (Z)-3-amino-2-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 330832-12-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=S)N)O |
| InChIKey | AYMXJXDLIQTOGF-WEVVVXLNSA-N |
Product Overview
(2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide (CAS 330832-12-7), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide.
Chemical Property Profile of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide
Property Insights of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide has 2 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 (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide?
The CAS number of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide is 330832-12-7.
What is the molecular formula of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide?
The molecular formula of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide is C12H12N2O2S.
What is the molecular weight of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide?
The molecular weight of (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide is 248.06 g/mol.
Where can I buy (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide?
You can request a quote for (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.