2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester (CAS 4079-32-7) is a chemical compound with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methoxycarbonyl-6-methylphenyl) thiophene-2-carboxylate
Also Known As: alpha-Thenoate 5-bromo orthocresotinate methyle, alpha-Thenoate 5-bromo orthocresotinate methyle [French], 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester, 4-Bromo-2-(methoxycarbonyl)-6-methylphenyl 2-thiophenecarboxylate, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl thiophene-2-carboxylate
| Molecular Formula | C14H11BrO4S |
|---|---|
| Molecular Weight | 353.96 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.95615 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4079-32-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=CS2)C(=O)OC)Br |
| InChIKey | LNOILASRCKQIJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester (CAS 4079-32-7), with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol. IUPAC: (4-bromo-2-methoxycarbonyl-6-methylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester
The XLogP value of 4.3 indicates that 2-Thiophenecarboxylic acid, 4-bromo-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, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-bromo-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, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester is 4079-32-7.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester is C14H11BrO4S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester is 353.96 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4-bromo-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, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-bromo-2-(methoxycarbonyl)-6-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.