1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene
TL;DR: 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene (CAS 25752-66-3) 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.
1-bromo-4-tert-butylsulfonylbenzene
Also Known As: 1-bromo-4-tert-butylsulfonyl-benzene, 1-BROMO-4-(2-METHYLPROPANE-2-SULFONYL)BENZENE, 1-bromo-4-tert-butylsulfonylbenzene, BAS 00529349, 1-Bromo-4-(tert-butylsulfonyl)benzene
| Molecular Formula | C10H13BrO2S |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.98196 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 25752-66-3 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | BNUMRVHWOZGNCQ-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene (CAS 25752-66-3), with molecular formula C10H13BrO2S and molecular weight 275.98 g/mol. IUPAC: 1-bromo-4-tert-butylsulfonylbenzene.
Chemical Property Profile of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene
Property Insights of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene
The XLogP value of 3.0 indicates that 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(2-methylpropane-2-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 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene?
The CAS number of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene is 25752-66-3.
What is the molecular formula of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene?
The molecular formula of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene is C10H13BrO2S.
What is the molecular weight of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene?
The molecular weight of 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene is 275.98 g/mol.
Where can I buy 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene?
You can request a quote for 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(2-methylpropane-2-sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.