2-Propynoic acid, 3-(2-thienyl)-, ethyl ester
TL;DR: 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester (CAS 61354-73-2) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-thiophen-2-ylprop-2-ynoate
Also Known As: ethyl 3-(thiophen-2-yl)propiolate, Ethyl 3-thiophen-2-ylprop-2-ynoate, 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester, ethyl 3-(thiophen-2-yl)prop-2-ynoate, 2-Thiophenepropiolic acid ethyl ester
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.6627 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 303.01468 |
Chemical Identifiers
| CAS Number | 61354-73-2 |
|---|---|
| SMILES | CCOC(=O)C#CC1=CC=CS1 |
Product Overview
2-Propynoic acid, 3-(2-thienyl)-, ethyl ester (CAS 61354-73-2), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: ethyl 3-thiophen-2-ylprop-2-ynoate.
Chemical Property Profile of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester
Property Insights of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester
The XLogP value of 1.6627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester has 0 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 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester?
The CAS number of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester is 61354-73-2.
What is the molecular formula of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester?
The molecular formula of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester is C9H8O2S.
What is the molecular weight of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester?
The molecular weight of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester is 180.02 g/mol.
Where can I buy 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester?
You can request a quote for 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.