2-((Phenylsulfonyl)methyl)benzyl bromide
TL;DR: 2-((Phenylsulfonyl)methyl)benzyl bromide (CAS 88116-02-3) is a chemical compound with molecular formula C14H13BrO2S and molecular weight 323.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene
Also Known As: 1-Bromomethyl-2-[(phenylsulfonyl)methyl]benzene, 2-Piperidineacetic acid, 2-[(Phenylsulfonyl)methyl]benzyl bromide, 2-[(Phenylsulphonyl)methyl]benzyl bromide, 1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene
| Molecular Formula | C14H13BrO2S |
|---|---|
| Molecular Weight | 323.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.98196 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 88116-02-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2CBr |
| InChIKey | SYNKYJKCQBVGSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((Phenylsulfonyl)methyl)benzyl bromide (CAS 88116-02-3), with molecular formula C14H13BrO2S and molecular weight 323.98 g/mol. IUPAC: 1-(benzenesulfonylmethyl)-2-(bromomethyl)benzene.
Chemical Property Profile of 2-((Phenylsulfonyl)methyl)benzyl bromide
Property Insights of 2-((Phenylsulfonyl)methyl)benzyl bromide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Phenylsulfonyl)methyl)benzyl bromide. With a topological polar surface area (TPSA) of 42.5 Ų, 2-((Phenylsulfonyl)methyl)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Phenylsulfonyl)methyl)benzyl bromide 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 2-((Phenylsulfonyl)methyl)benzyl bromide?
The CAS number of 2-((Phenylsulfonyl)methyl)benzyl bromide is 88116-02-3.
What is the molecular formula of 2-((Phenylsulfonyl)methyl)benzyl bromide?
The molecular formula of 2-((Phenylsulfonyl)methyl)benzyl bromide is C14H13BrO2S.
What is the molecular weight of 2-((Phenylsulfonyl)methyl)benzyl bromide?
The molecular weight of 2-((Phenylsulfonyl)methyl)benzyl bromide is 323.98 g/mol.
Where can I buy 2-((Phenylsulfonyl)methyl)benzyl bromide?
You can request a quote for 2-((Phenylsulfonyl)methyl)benzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Phenylsulfonyl)methyl)benzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-((Phenylsulfonyl)methyl)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.