4-Chlorophenyl methanesulfonate
TL;DR: 4-Chlorophenyl methanesulfonate (CAS 70080-69-2) is a chemical compound with molecular formula C7H7ClO3S and molecular weight 205.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) methanesulfonate
Also Known As: 4-chlorophenyl methanesulfonate, 4-chlorophenyl mesylate, (4-chlorophenyl) methanesulfonate, 4-chlorophenyl methylsulfonate, para-chlorophenyl methanesulfonate
| Molecular Formula | C7H7ClO3S |
|---|---|
| Molecular Weight | 205.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.98044 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 70080-69-2 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | LSGFXGPDQYGPDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl methanesulfonate (CAS 70080-69-2), with molecular formula C7H7ClO3S and molecular weight 205.98 g/mol. IUPAC: (4-chlorophenyl) methanesulfonate.
Chemical Property Profile of 4-Chlorophenyl methanesulfonate
Property Insights of 4-Chlorophenyl methanesulfonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Chlorophenyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl methanesulfonate 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 4-Chlorophenyl methanesulfonate?
The CAS number of 4-Chlorophenyl methanesulfonate is 70080-69-2.
What is the molecular formula of 4-Chlorophenyl methanesulfonate?
The molecular formula of 4-Chlorophenyl methanesulfonate is C7H7ClO3S.
What is the molecular weight of 4-Chlorophenyl methanesulfonate?
The molecular weight of 4-Chlorophenyl methanesulfonate is 205.98 g/mol.
Where can I buy 4-Chlorophenyl methanesulfonate?
You can request a quote for 4-Chlorophenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.