3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester (CAS 1022-06-6) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-2-phenylthiophene-3-carboxylate
Also Known As: ethyl 4-hydroxy-2-phenylthiophene-3-carboxylate, 3-thiophenecarboxylic acid,4-hydroxy-2-phenyl-,ethyl ester, Ethyl 4-hydroxy-2-phenyl-3-thiophenecarboxylate, Ethyl 4-hydroxy-2-phenyl-3-thiophenecarboxylate #, 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 1022-06-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1O)C2=CC=CC=C2 |
| InChIKey | HHZBUAFTFOSISN-UHFFFAOYSA-N |
Product Overview
3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester (CAS 1022-06-6), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: ethyl 4-hydroxy-2-phenylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester
The XLogP value of 3.7 indicates that 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, 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 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester is 1022-06-6.
What is the molecular formula of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester is C13H12O3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester is 248.05 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 4-hydroxy-2-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.