2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
TL;DR: 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- (CAS 117106-47-5) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-thiophen-3-ylprop-2-enoate
Also Known As: ethyl 2-cyano-3-(3-thienyl)acrylate, ethyl 2-cyano-3-thiophen-3-ylprop-2-enoate, 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-, Ethyl 2-cyano-3-(thiophen-3-yl)prop-2-enoate, Ethyl 2-cyano-3-thiophen-3-yl-prop-2-enoate
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.21818 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 373.3263 |
Chemical Identifiers
| CAS Number | 117106-47-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CSC=C1)C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- (CAS 117106-47-5), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: ethyl 2-cyano-3-thiophen-3-ylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
Property Insights of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
The XLogP value of 2.21818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- 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 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-?
The CAS number of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- is 117106-47-5.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- is C10H9NO2S.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- is 207.04 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.