5-Bromo-1-benzothiophene-3-carboxylic acid
TL;DR: 5-Bromo-1-benzothiophene-3-carboxylic acid (CAS 7312-24-5) is a chemical compound with molecular formula C9H5BrO2S and molecular weight 255.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-benzothiophene-3-carboxylic acid
Also Known As: 5-BROMOBENZO[B]THIOPHENE-3-CARBOXYLIC ACID, 5-Bromo-1-benzothiophene-3-carboxylic acid, (R)-2-phenylpiperidine, 5-Bromobenzo[b]thiophene-3-carboxylicacid, 5-Bromo-3-carboxybenzo[b]thiophene
| Molecular Formula | C9H5BrO2S |
|---|---|
| Molecular Weight | 255.92 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.91936 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 7312-24-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=CS2)C(=O)O |
| InChIKey | DWQBOPASRUUSKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-1-benzothiophene-3-carboxylic acid (CAS 7312-24-5), with molecular formula C9H5BrO2S and molecular weight 255.92 g/mol. IUPAC: 5-bromo-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 5-Bromo-1-benzothiophene-3-carboxylic acid
Property Insights of 5-Bromo-1-benzothiophene-3-carboxylic acid
The XLogP value of 3.2 indicates that 5-Bromo-1-benzothiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-1-benzothiophene-3-carboxylic acid has 1 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 5-Bromo-1-benzothiophene-3-carboxylic acid?
The CAS number of 5-Bromo-1-benzothiophene-3-carboxylic acid is 7312-24-5.
What is the molecular formula of 5-Bromo-1-benzothiophene-3-carboxylic acid?
The molecular formula of 5-Bromo-1-benzothiophene-3-carboxylic acid is C9H5BrO2S.
What is the molecular weight of 5-Bromo-1-benzothiophene-3-carboxylic acid?
The molecular weight of 5-Bromo-1-benzothiophene-3-carboxylic acid is 255.92 g/mol.
Where can I buy 5-Bromo-1-benzothiophene-3-carboxylic acid?
You can request a quote for 5-Bromo-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.