Benzyl chloromethyl sulfone
TL;DR: Benzyl chloromethyl sulfone (CAS 5849-61-6) is a chemical compound with molecular formula C8H9ClO2S and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethylsulfonylmethylbenzene
Also Known As: chloromethyl benzyl sulfone, BENZYL CHLOROMETHYL SULFONE, chloromethylsulfonylmethylbenzene, {[(chloromethyl)sulfonyl]methyl}benzene, KST-1B5912
| Molecular Formula | C8H9ClO2S |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.00117 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5849-61-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCl |
| InChIKey | DQOOIGWCYGESQG-UHFFFAOYSA-N |
Product Overview
Benzyl chloromethyl sulfone (CAS 5849-61-6), with molecular formula C8H9ClO2S and molecular weight 204.00 g/mol. IUPAC: chloromethylsulfonylmethylbenzene.
Chemical Property Profile of Benzyl chloromethyl sulfone
Property Insights of Benzyl chloromethyl sulfone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl chloromethyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Benzyl chloromethyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl chloromethyl 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 Benzyl chloromethyl sulfone?
The CAS number of Benzyl chloromethyl sulfone is 5849-61-6.
What is the molecular formula of Benzyl chloromethyl sulfone?
The molecular formula of Benzyl chloromethyl sulfone is C8H9ClO2S.
What is the molecular weight of Benzyl chloromethyl sulfone?
The molecular weight of Benzyl chloromethyl sulfone is 204.00 g/mol.
Where can I buy Benzyl chloromethyl sulfone?
You can request a quote for Benzyl chloromethyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl chloromethyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Benzyl chloromethyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.