![4-[(4-Bromophenyl)sulfonyl]-2-butanone structure](/static/products/7270/72708-55-5.webp)
4-[(4-Bromophenyl)sulfonyl]-2-butanone
TL;DR: 4-[(4-Bromophenyl)sulfonyl]-2-butanone (CAS 72708-55-5) is a chemical compound with molecular formula C10H11BrO3S and molecular weight 289.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfonylbutan-2-one
Also Known As: 4-[(4-bromophenyl)sulfonyl]-2-butanone, 4-(4-bromophenyl)sulfonylbutan-2-one, 2-butanone, 4-[(4-bromophenyl)sulfonyl]-, AB00076788-01
| Molecular Formula | C10H11BrO3S |
|---|---|
| Molecular Weight | 289.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.96124 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 72708-55-5 |
|---|---|
| SMILES | CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | OTKLZZDOONWFGW-UHFFFAOYSA-N |
Product Overview
4-[(4-Bromophenyl)sulfonyl]-2-butanone (CAS 72708-55-5), with molecular formula C10H11BrO3S and molecular weight 289.96 g/mol. IUPAC: 4-(4-bromophenyl)sulfonylbutan-2-one.
Chemical Property Profile of 4-[(4-Bromophenyl)sulfonyl]-2-butanone
Property Insights of 4-[(4-Bromophenyl)sulfonyl]-2-butanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Bromophenyl)sulfonyl]-2-butanone. With a topological polar surface area (TPSA) of 59.6 Ų, 4-[(4-Bromophenyl)sulfonyl]-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Bromophenyl)sulfonyl]-2-butanone has 0 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]-2-butanone?
The CAS number of 4-[(4-Bromophenyl)sulfonyl]-2-butanone is 72708-55-5.
What is the molecular formula of 4-[(4-Bromophenyl)sulfonyl]-2-butanone?
The molecular formula of 4-[(4-Bromophenyl)sulfonyl]-2-butanone is C10H11BrO3S.
What is the molecular weight of 4-[(4-Bromophenyl)sulfonyl]-2-butanone?
The molecular weight of 4-[(4-Bromophenyl)sulfonyl]-2-butanone is 289.96 g/mol.
Where can I buy 4-[(4-Bromophenyl)sulfonyl]-2-butanone?
You can request a quote for 4-[(4-Bromophenyl)sulfonyl]-2-butanone 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]-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Bromophenyl)sulfonyl]-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.