Bromomethyl P-tolyl sulfone
TL;DR: Bromomethyl P-tolyl sulfone (CAS 4523-36-8) is a chemical compound with molecular formula C8H9BrO2S and molecular weight 247.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethylsulfonyl)-4-methylbenzene
Also Known As: Tosylmethyl bromide, bromomethyl 4-methylphenyl sulfone, bromomethyl p-tolyl sulfone, Brommethyl-p-tolyl-sulfon, 1-(bromomethylsulfonyl)-4-methylbenzene
| Molecular Formula | C8H9BrO2S |
|---|---|
| Molecular Weight | 247.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.95065 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 4523-36-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CBr |
| InChIKey | KMWBOUMDQCYJHD-UHFFFAOYSA-N |
Product Overview
Bromomethyl P-tolyl sulfone (CAS 4523-36-8), with molecular formula C8H9BrO2S and molecular weight 247.95 g/mol. IUPAC: 1-(bromomethylsulfonyl)-4-methylbenzene.
Chemical Property Profile of Bromomethyl P-tolyl sulfone
Property Insights of Bromomethyl P-tolyl sulfone
The XLogP value of 3.1 indicates that Bromomethyl P-tolyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Bromomethyl P-tolyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomethyl P-tolyl 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 Bromomethyl P-tolyl sulfone?
The CAS number of Bromomethyl P-tolyl sulfone is 4523-36-8.
What is the molecular formula of Bromomethyl P-tolyl sulfone?
The molecular formula of Bromomethyl P-tolyl sulfone is C8H9BrO2S.
What is the molecular weight of Bromomethyl P-tolyl sulfone?
The molecular weight of Bromomethyl P-tolyl sulfone is 247.95 g/mol.
Where can I buy Bromomethyl P-tolyl sulfone?
You can request a quote for Bromomethyl P-tolyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromomethyl P-tolyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Bromomethyl P-tolyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.