1-(2-Chloroethylsulfonyl)-4-methoxybenzene
TL;DR: 1-(2-Chloroethylsulfonyl)-4-methoxybenzene (CAS 16191-81-4) is a chemical compound with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfonyl)-4-methoxybenzene
Also Known As: 1-(2-chloroethylsulfonyl)-4-methoxybenzene, Anisole, p-[(2-chloroethyl)sulfonyl]-, 4-[(2-Chloroethyl)sulfonyl]-1-methoxybenzene, 1-(2-chloroethanesulfonyl)-4-methoxybenzene, 1-((2-chloroethyl)sulfonyl)-4-methoxybenzene
| Molecular Formula | C9H11ClO3S |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.01175 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 16191-81-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CCCl |
| InChIKey | XXAYFPSUXJLYIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethylsulfonyl)-4-methoxybenzene (CAS 16191-81-4), with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol. IUPAC: 1-(2-chloroethylsulfonyl)-4-methoxybenzene.
Chemical Property Profile of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene
Property Insights of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethylsulfonyl)-4-methoxybenzene. With a topological polar surface area (TPSA) of 51.8 Ų, 1-(2-Chloroethylsulfonyl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethylsulfonyl)-4-methoxybenzene has 0 hydrogen bond donor(s) and 3 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-(2-Chloroethylsulfonyl)-4-methoxybenzene?
The CAS number of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene is 16191-81-4.
What is the molecular formula of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene?
The molecular formula of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene is C9H11ClO3S.
What is the molecular weight of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene?
The molecular weight of 1-(2-Chloroethylsulfonyl)-4-methoxybenzene is 234.01 g/mol.
Where can I buy 1-(2-Chloroethylsulfonyl)-4-methoxybenzene?
You can request a quote for 1-(2-Chloroethylsulfonyl)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethylsulfonyl)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethylsulfonyl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.