Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
TL;DR: Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate (CAS 29577-54-6) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
Also Known As: methyl (2E)-2-cyano-3-(thiophen-2-yl)prop-2-enoate, J2.388.035K, Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate, Methyl 2-cyano-3-thiophen-2-yl-prop-2-enoate, methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.82808 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 359.46646 |
Chemical Identifiers
| CAS Number | 29577-54-6 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=CS1)/C#N |
Product Overview
Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate (CAS 29577-54-6), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
Property Insights of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate
The XLogP value of 1.82808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate has 0 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 Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The CAS number of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is 29577-54-6.
What is the molecular formula of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The molecular formula of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is C9H7NO2S.
What is the molecular weight of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
The molecular weight of Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate is 193.02 g/mol.
Where can I buy Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
You can request a quote for Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.