2-Chlorophenyl 4-methylbenzenesulfonate
TL;DR: 2-Chlorophenyl 4-methylbenzenesulfonate (CAS 663-39-8) is a chemical compound with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 4-methylbenzenesulfonate
Also Known As: chlorophenol tosylate, 2-chlorophenyl 4-methylbenzenesulfonate, 2-CHLOROPHENYL 4-METHYLBENZENE-1-SULFONATE, (2-chlorophenyl) 4-methylbenzenesulfonate, 2-chlorophenyl p-toluenesulfonate
| Molecular Formula | C13H11ClO3S |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.01175 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 663-39-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Cl |
| InChIKey | BYUBPRJLQIPXQT-UHFFFAOYSA-N |
Product Overview
2-Chlorophenyl 4-methylbenzenesulfonate (CAS 663-39-8), with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol. IUPAC: (2-chlorophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Chlorophenyl 4-methylbenzenesulfonate
Property Insights of 2-Chlorophenyl 4-methylbenzenesulfonate
The XLogP value of 4.0 indicates that 2-Chlorophenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chlorophenyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 4-methylbenzenesulfonate 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 2-Chlorophenyl 4-methylbenzenesulfonate?
The CAS number of 2-Chlorophenyl 4-methylbenzenesulfonate is 663-39-8.
What is the molecular formula of 2-Chlorophenyl 4-methylbenzenesulfonate?
The molecular formula of 2-Chlorophenyl 4-methylbenzenesulfonate is C13H11ClO3S.
What is the molecular weight of 2-Chlorophenyl 4-methylbenzenesulfonate?
The molecular weight of 2-Chlorophenyl 4-methylbenzenesulfonate is 282.01 g/mol.
Where can I buy 2-Chlorophenyl 4-methylbenzenesulfonate?
You can request a quote for 2-Chlorophenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.