2-Thiophenecarboxylic acid, 2-methylphenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 2-methylphenyl ester (CAS 38281-68-4) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) thiophene-2-carboxylate
Also Known As: 2-Methylphenyl 2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 2-methylphenyl ester, (2-methylphenyl) thiophene-2-carboxylate, 2-methylphenyl thiophene-2-carboxylate, 2-Methylphenyl 2-thiophenecarboxylate #
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 38281-68-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CC=CS2 |
| InChIKey | GMPPUOGQRVKMAE-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 2-methylphenyl ester (CAS 38281-68-4), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: (2-methylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 2-methylphenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 2-methylphenyl ester
The XLogP value of 3.7 indicates that 2-Thiophenecarboxylic acid, 2-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiophenecarboxylic acid, 2-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 2-methylphenyl 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-Thiophenecarboxylic acid, 2-methylphenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 2-methylphenyl ester is 38281-68-4.
What is the molecular formula of 2-Thiophenecarboxylic acid, 2-methylphenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 2-methylphenyl ester is C12H10O2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 2-methylphenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 2-methylphenyl ester is 218.04 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 2-methylphenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 2-methylphenyl 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, 2-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 2-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.