2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester (CAS 40794-71-6) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxycarbonyl-6-methylphenyl) thiophene-2-carboxylate
Also Known As: alpha-Thenoate orthocresotinate methyle, alpha-Thenoate orthocresotinate methyle [French], 2-(methoxycarbonyl)-6-methylphenyl thiophene-2-carboxylate, 2-(Methoxycarbonyl)-6-methylphenyl 2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 40794-71-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC)OC(=O)C2=CC=CS2 |
| InChIKey | XPUSXNAIKYQRDB-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester (CAS 40794-71-6), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: (2-methoxycarbonyl-6-methylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester
The XLogP value of 3.6 indicates that 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester has 0 hydrogen bond donor(s) and 5 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-(methoxycarbonyl)-6-methylphenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester is 40794-71-6.
What is the molecular formula of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester is C14H12O4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester is 276.05 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-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-(methoxycarbonyl)-6-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 2-(methoxycarbonyl)-6-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.