2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-
TL;DR: 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- (CAS 110545-68-1) is a chemical compound with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-methoxythiophene-2-carboxylic acid
Also Known As: 4-bromo-3-methoxythiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, 4-Bromo-2-carboxy-3-methoxythiophene, 4-Bromo-2-carboxy-3-methoxy-thiophene, 4-bromo-3-methoxy thiophene-2-carboxylic acid
| Molecular Formula | C6H5BrO3S |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.91428 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 110545-68-1 |
|---|---|
| SMILES | COC1=C(SC=C1Br)C(=O)O |
| InChIKey | OLDGPQVUEMIBNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- (CAS 110545-68-1), with molecular formula C6H5BrO3S and molecular weight 235.91 g/mol. IUPAC: 4-bromo-3-methoxythiophene-2-carboxylic acid.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-
Property Insights of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- 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 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-?
The CAS number of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- is 110545-68-1.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-?
The molecular formula of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- is C6H5BrO3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-?
The molecular weight of 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- is 235.91 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-?
You can request a quote for 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- 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-3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.