4-Bromophenylchloromethyl sulfone
TL;DR: 4-Bromophenylchloromethyl sulfone (CAS 54091-06-4) is a chemical compound with molecular formula C7H6BrClO2S and molecular weight 267.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(chloromethylsulfonyl)benzene
Also Known As: BPCMS, 4-Bromophenyl chloromethyl sulfone, 4-Bromophenylchloromethyl sulfone, 1-bromo-4-(chloromethylsulfonyl)benzene, 1-BROMO-4-((CHLOROMETHYL)SULFONYL)BENZENE
| Molecular Formula | C7H6BrClO2S |
|---|---|
| Molecular Weight | 267.90 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.89603 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 54091-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CCl)Br |
| InChIKey | AHXUVTKVCMOKIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenylchloromethyl sulfone (CAS 54091-06-4), with molecular formula C7H6BrClO2S and molecular weight 267.90 g/mol. IUPAC: 1-bromo-4-(chloromethylsulfonyl)benzene.
Chemical Property Profile of 4-Bromophenylchloromethyl sulfone
Property Insights of 4-Bromophenylchloromethyl sulfone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenylchloromethyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Bromophenylchloromethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenylchloromethyl sulfone has 0 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 4-Bromophenylchloromethyl sulfone?
The CAS number of 4-Bromophenylchloromethyl sulfone is 54091-06-4.
What is the molecular formula of 4-Bromophenylchloromethyl sulfone?
The molecular formula of 4-Bromophenylchloromethyl sulfone is C7H6BrClO2S.
What is the molecular weight of 4-Bromophenylchloromethyl sulfone?
The molecular weight of 4-Bromophenylchloromethyl sulfone is 267.90 g/mol.
Where can I buy 4-Bromophenylchloromethyl sulfone?
You can request a quote for 4-Bromophenylchloromethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenylchloromethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenylchloromethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.