(4-Bromophenyl)methanesulfonic acid
TL;DR: (4-Bromophenyl)methanesulfonic acid (CAS 110874-72-1) is a chemical compound with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methanesulfonic acid
Also Known As: (4-Bromophenyl)methanesulfonic acid, Oclacitinib impurity 1, 4-bromobenzylsulfonic acid, 4-Bromobenzenemethanesulfonic acid, (4-Bromophenyl)methanesulfonicacid
| Molecular Formula | C7H7BrO3S |
|---|---|
| Molecular Weight | 249.93 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.92993 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 110874-72-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)O)Br |
| InChIKey | CZHYAAVLICZNRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromophenyl)methanesulfonic acid (CAS 110874-72-1), with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol. IUPAC: (4-bromophenyl)methanesulfonic acid.
Chemical Property Profile of (4-Bromophenyl)methanesulfonic acid
Property Insights of (4-Bromophenyl)methanesulfonic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenyl)methanesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromophenyl)methanesulfonic acid. Following Lipinski's Rule of Five, (4-Bromophenyl)methanesulfonic 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 (4-Bromophenyl)methanesulfonic acid?
The CAS number of (4-Bromophenyl)methanesulfonic acid is 110874-72-1.
What is the molecular formula of (4-Bromophenyl)methanesulfonic acid?
The molecular formula of (4-Bromophenyl)methanesulfonic acid is C7H7BrO3S.
What is the molecular weight of (4-Bromophenyl)methanesulfonic acid?
The molecular weight of (4-Bromophenyl)methanesulfonic acid is 249.93 g/mol.
Where can I buy (4-Bromophenyl)methanesulfonic acid?
You can request a quote for (4-Bromophenyl)methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.