2-Bromo-4-mercaptobenzoic acid
TL;DR: 2-Bromo-4-mercaptobenzoic acid (CAS 7041-50-1) is a chemical compound with molecular formula C7H5BrO2S and molecular weight 231.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-sulfanylbenzoic acid
Also Known As: 2-BROMO-4-MERCAPTOBENZOIC ACID, 2-bromo-4-sulfanylbenzoic acid, 2-bromo-4-sulfanyl-benzoic Acid, N-(4-BROMOACETYL)PHENYL-1-BUTANESULFONAMIDE, RefChem:257224
| Molecular Formula | C7H5BrO2S |
|---|---|
| Molecular Weight | 231.92 g/mol |
| LogP | 2.436 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.91936 |
| Heavy Atoms | 11 |
| Complexity | 298.4921 |
Chemical Identifiers
| CAS Number | 7041-50-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)Br)C(=O)O |
Product Overview
2-Bromo-4-mercaptobenzoic acid (CAS 7041-50-1), with molecular formula C7H5BrO2S and molecular weight 231.92 g/mol. IUPAC: 2-bromo-4-sulfanylbenzoic acid.
Chemical Property Profile of 2-Bromo-4-mercaptobenzoic acid
Property Insights of 2-Bromo-4-mercaptobenzoic acid
The XLogP value of 2.436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-mercaptobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-4-mercaptobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-mercaptobenzoic acid has 2 hydrogen bond donor(s) and 2 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-Bromo-4-mercaptobenzoic acid?
The CAS number of 2-Bromo-4-mercaptobenzoic acid is 7041-50-1.
What is the molecular formula of 2-Bromo-4-mercaptobenzoic acid?
The molecular formula of 2-Bromo-4-mercaptobenzoic acid is C7H5BrO2S.
What is the molecular weight of 2-Bromo-4-mercaptobenzoic acid?
The molecular weight of 2-Bromo-4-mercaptobenzoic acid is 231.92 g/mol.
Where can I buy 2-Bromo-4-mercaptobenzoic acid?
You can request a quote for 2-Bromo-4-mercaptobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-mercaptobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-mercaptobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.