(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide
TL;DR: (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide (CAS 39145-31-8) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide
Also Known As: 4-Methoxy-alpha-cyanocinnamthioamide, 2-cyano-3-(4-methoxyphenyl)thioacrylamide, 2-cyano-3-(4-methoxyphenyl)-2-propenethioamide, J1.629.744E, (e)-3-(4-methoxyphenyl)-2-cyanothioacrylamide
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 39145-31-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=S)N |
| InChIKey | NSDYZWFBGUGNTC-RMKNXTFCSA-N |
Product Overview
(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide (CAS 39145-31-8), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide.
Chemical Property Profile of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide
Property Insights of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide has 1 hydrogen bond donor(s) and 3 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 (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide is 39145-31-8.
What is the molecular formula of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide is C11H10N2OS.
What is the molecular weight of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide is 218.05 g/mol.
Where can I buy (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-(4-methoxyphenyl)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 (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.