1--Methyl 2-cyano-3-(2-thienyl)acrylate
TL;DR: 1--Methyl 2-cyano-3-(2-thienyl)acrylate (CAS 34098-75-4) 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 2-cyano-3-thiophen-2-ylprop-2-enoate
Also Known As: 1--Methyl 2-cyano-3-(2-thienyl)acrylate, methyl 2-cyano-3-thiophen-2-ylprop-2-enoate, Methyl 2-cyano-3-thiophen-2-yl-prop-2-enoate, alpha-Cyano-2-thiopheneacrylic acid methyl ester
| 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 | 34098-75-4 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CS1)C#N |
Product Overview
1--Methyl 2-cyano-3-(2-thienyl)acrylate (CAS 34098-75-4), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: methyl 2-cyano-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of 1--Methyl 2-cyano-3-(2-thienyl)acrylate
Property Insights of 1--Methyl 2-cyano-3-(2-thienyl)acrylate
The XLogP value of 1.82808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1--Methyl 2-cyano-3-(2-thienyl)acrylate. With a topological polar surface area (TPSA) of 50.09 Ų, 1--Methyl 2-cyano-3-(2-thienyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1--Methyl 2-cyano-3-(2-thienyl)acrylate 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 1--Methyl 2-cyano-3-(2-thienyl)acrylate?
The CAS number of 1--Methyl 2-cyano-3-(2-thienyl)acrylate is 34098-75-4.
What is the molecular formula of 1--Methyl 2-cyano-3-(2-thienyl)acrylate?
The molecular formula of 1--Methyl 2-cyano-3-(2-thienyl)acrylate is C9H7NO2S.
What is the molecular weight of 1--Methyl 2-cyano-3-(2-thienyl)acrylate?
The molecular weight of 1--Methyl 2-cyano-3-(2-thienyl)acrylate is 193.02 g/mol.
Where can I buy 1--Methyl 2-cyano-3-(2-thienyl)acrylate?
You can request a quote for 1--Methyl 2-cyano-3-(2-thienyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1--Methyl 2-cyano-3-(2-thienyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for 1--Methyl 2-cyano-3-(2-thienyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.