1-(Chloromethyl)-4-methanesulfonylbenzene
TL;DR: 1-(Chloromethyl)-4-methanesulfonylbenzene (CAS 53606-06-7) 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.
1-(chloromethyl)-4-methylsulfonylbenzene
Also Known As: 4-(methylsulfonyl)benzyl chloride, 1-(Chloromethyl)-4-(methylsulfonyl)benzene, 4-(Methylsulfonyl)benzyl Bromide, p-(Methylsulfonyl)benzyl chloride, p-Methylsulfonylbenzyl chloride
| 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 | 2 |
| Exact Mass | 204.00117 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 53606-06-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CCl |
| InChIKey | LXPRVXKHIXWBJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)-4-methanesulfonylbenzene (CAS 53606-06-7), with molecular formula C8H9ClO2S and molecular weight 204.00 g/mol. IUPAC: 1-(chloromethyl)-4-methylsulfonylbenzene.
Chemical Property Profile of 1-(Chloromethyl)-4-methanesulfonylbenzene
Property Insights of 1-(Chloromethyl)-4-methanesulfonylbenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-4-methanesulfonylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-(Chloromethyl)-4-methanesulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-methanesulfonylbenzene 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-(Chloromethyl)-4-methanesulfonylbenzene?
The CAS number of 1-(Chloromethyl)-4-methanesulfonylbenzene is 53606-06-7.
What is the molecular formula of 1-(Chloromethyl)-4-methanesulfonylbenzene?
The molecular formula of 1-(Chloromethyl)-4-methanesulfonylbenzene is C8H9ClO2S.
What is the molecular weight of 1-(Chloromethyl)-4-methanesulfonylbenzene?
The molecular weight of 1-(Chloromethyl)-4-methanesulfonylbenzene is 204.00 g/mol.
Where can I buy 1-(Chloromethyl)-4-methanesulfonylbenzene?
You can request a quote for 1-(Chloromethyl)-4-methanesulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-4-methanesulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-4-methanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.