3-Bromo-4-chloro-5-methylbenzenesulfonic acid
TL;DR: 3-Bromo-4-chloro-5-methylbenzenesulfonic acid (CAS 134271-44-6) is a chemical compound with molecular formula C7H6BrClO3S and molecular weight 283.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-chloro-5-methylbenzenesulfonic acid
Also Known As: 3-Bromo-4-chloro-5-methylbenzenesulfonic acid, 5-bromo-4-chloro-3-methylbenzenesulfonic acid
| Molecular Formula | C7H6BrClO3S |
|---|---|
| Molecular Weight | 283.89 g/mol |
| LogP | 2.65762 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.89096 |
| Heavy Atoms | 13 |
| Complexity | 418.04602 |
Chemical Identifiers
| CAS Number | 134271-44-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)Br)S(=O)(=O)O |
Product Overview
3-Bromo-4-chloro-5-methylbenzenesulfonic acid (CAS 134271-44-6), with molecular formula C7H6BrClO3S and molecular weight 283.89 g/mol. IUPAC: 3-bromo-4-chloro-5-methylbenzenesulfonic acid.
Chemical Property Profile of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid
Property Insights of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid
The XLogP value of 2.65762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-chloro-5-methylbenzenesulfonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Bromo-4-chloro-5-methylbenzenesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-chloro-5-methylbenzenesulfonic acid has 1 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 3-Bromo-4-chloro-5-methylbenzenesulfonic acid?
The CAS number of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid is 134271-44-6.
What is the molecular formula of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid?
The molecular formula of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid is C7H6BrClO3S.
What is the molecular weight of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid?
The molecular weight of 3-Bromo-4-chloro-5-methylbenzenesulfonic acid is 283.89 g/mol.
Where can I buy 3-Bromo-4-chloro-5-methylbenzenesulfonic acid?
You can request a quote for 3-Bromo-4-chloro-5-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-chloro-5-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-chloro-5-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.