2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
TL;DR: 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester (CAS 2158-88-5) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxythiophene-2-carboxylate
Also Known As: Ethyl 3-hydroxythiophene-2-carboxylate, Ethyl 3-hydroxy-2-thenoate, ethyl3-hydroxy-2-thenoate, Ethyl3-hydroxythiophene-2-carboxylate, 2-ethoxycarbonyl-3-hydroxythiophene
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 2158-88-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CS1)O |
| InChIKey | CPNCRCBYQSHUPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester (CAS 2158-88-5), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: ethyl 3-hydroxythiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
Property Insights of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester has 1 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-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester is 2158-88-5.
What is the molecular formula of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester is C7H8O3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester is 172.02 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 3-hydroxy-, 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-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.