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[(3-Bromobutan-2-yl)sulfonyl]benzene
TL;DR: [(3-Bromobutan-2-yl)sulfonyl]benzene (CAS 6952-80-3) is a chemical compound with molecular formula C10H13BrO2S and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobutan-2-ylsulfonylbenzene
Also Known As: [(3-bromobutan-2-yl)sulfonyl]benzene|3-bromobutan-2-ylsulfonylbenzene|KST-1A7625|(3-BROMOBUTANE-2-SULFONYL)BENZENE
| Molecular Formula | C10H13BrO2S |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.98196 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6952-80-3 |
|---|---|
| SMILES | CC(C(C)Br)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WVJWWVFLTHTSRI-UHFFFAOYSA-N |
Product Overview
[(3-Bromobutan-2-yl)sulfonyl]benzene (CAS 6952-80-3), with molecular formula C10H13BrO2S and molecular weight 275.98 g/mol. IUPAC: 3-bromobutan-2-ylsulfonylbenzene.
Chemical Property Profile of [(3-Bromobutan-2-yl)sulfonyl]benzene
Property Insights of [(3-Bromobutan-2-yl)sulfonyl]benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Bromobutan-2-yl)sulfonyl]benzene. With a topological polar surface area (TPSA) of 42.5 Ų, [(3-Bromobutan-2-yl)sulfonyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3-Bromobutan-2-yl)sulfonyl]benzene 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 [(3-Bromobutan-2-yl)sulfonyl]benzene?
The CAS number of [(3-Bromobutan-2-yl)sulfonyl]benzene is 6952-80-3.
What is the molecular formula of [(3-Bromobutan-2-yl)sulfonyl]benzene?
The molecular formula of [(3-Bromobutan-2-yl)sulfonyl]benzene is C10H13BrO2S.
What is the molecular weight of [(3-Bromobutan-2-yl)sulfonyl]benzene?
The molecular weight of [(3-Bromobutan-2-yl)sulfonyl]benzene is 275.98 g/mol.
Where can I buy [(3-Bromobutan-2-yl)sulfonyl]benzene?
You can request a quote for [(3-Bromobutan-2-yl)sulfonyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Bromobutan-2-yl)sulfonyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(3-Bromobutan-2-yl)sulfonyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.