2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester
TL;DR: 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester (CAS 41230-58-4) is a chemical compound with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-2-methoxy-4-methylphenyl) thiophene-2-carboxylate
Also Known As: alpha-Thenoate bromocreosol, alpha-Thenoate bromocreosol [French], 3-bromo-2-methoxy-4-methylphenyl thiophene-2-carboxylate, Bromo-2-methoxy-4-methylphenyl 2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester
| Molecular Formula | C13H11BrO3S |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.96124 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 41230-58-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)OC(=O)C2=CC=CS2)OC)Br |
| InChIKey | BZMDDSWEDFUALV-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester (CAS 41230-58-4), with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol. IUPAC: (3-bromo-2-methoxy-4-methylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester
Property Insights of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester
The XLogP value of 4.4 indicates that 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester has 0 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, bromo-2-methoxy-4-methylphenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester is 41230-58-4.
What is the molecular formula of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester is C13H11BrO3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester is 325.96 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-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, bromo-2-methoxy-4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, bromo-2-methoxy-4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.