![4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid structure](/static/products/1100/110046-40-7.webp)
4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid
TL;DR: 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid (CAS 110046-40-7) is a chemical compound with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)sulfonylmethyl]benzoic acid
Also Known As: 4-(4-Bromo-benzenesulfonylmethyl)-benzoic acid, 4-[(4-bromophenyl)sulfonylmethyl]benzoic acid, 4-{[(4-bromophenyl)sulfonyl]methyl}benzoic acid, 4-(((4-Bromophenyl)sulfonyl)methyl)benzoic acid, BIM-0036925.P001
| Molecular Formula | C14H11BrO4S |
|---|---|
| Molecular Weight | 353.96 g/mol |
| LogP | 3.1212 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.95615 |
| Heavy Atoms | 20 |
| Complexity | 718.7742 |
Chemical Identifiers
| CAS Number | 110046-40-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid (CAS 110046-40-7), with molecular formula C14H11BrO4S and molecular weight 353.96 g/mol. IUPAC: 4-[(4-bromophenyl)sulfonylmethyl]benzoic acid.
Chemical Property Profile of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid
Property Insights of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid
The XLogP value of 3.1212 indicates that 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic 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-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid?
The CAS number of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid is 110046-40-7.
What is the molecular formula of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid?
The molecular formula of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid is C14H11BrO4S.
What is the molecular weight of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid?
The molecular weight of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid is 353.96 g/mol.
Where can I buy 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid?
You can request a quote for 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.