3-Chlorophenyl 4-methylbenzene-1-sulfonate
TL;DR: 3-Chlorophenyl 4-methylbenzene-1-sulfonate (CAS 3899-95-4) 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.
(3-chlorophenyl) 4-methylbenzenesulfonate
Also Known As: 3-chlorophenyl 4-methylbenzene-1-sulfonate, 3-chlorophenyl 4-methylbenzenesulfonate, (3-chlorophenyl) 4-methylbenzenesulfonate, p-Toluenesulfonic acid 3-chlorophenyl ester, J2.350.946F
| Molecular Formula | C13H11ClO3S |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 3.41612 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.01175 |
| Heavy Atoms | 18 |
| Complexity | 648.1915 |
Chemical Identifiers
| CAS Number | 3899-95-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)Cl |
Product Overview
3-Chlorophenyl 4-methylbenzene-1-sulfonate (CAS 3899-95-4), with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol. IUPAC: (3-chlorophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Chlorophenyl 4-methylbenzene-1-sulfonate
Property Insights of 3-Chlorophenyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.41612 indicates that 3-Chlorophenyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Chlorophenyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorophenyl 4-methylbenzene-1-sulfonate 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 3-Chlorophenyl 4-methylbenzene-1-sulfonate?
The CAS number of 3-Chlorophenyl 4-methylbenzene-1-sulfonate is 3899-95-4.
What is the molecular formula of 3-Chlorophenyl 4-methylbenzene-1-sulfonate?
The molecular formula of 3-Chlorophenyl 4-methylbenzene-1-sulfonate is C13H11ClO3S.
What is the molecular weight of 3-Chlorophenyl 4-methylbenzene-1-sulfonate?
The molecular weight of 3-Chlorophenyl 4-methylbenzene-1-sulfonate is 282.01 g/mol.
Where can I buy 3-Chlorophenyl 4-methylbenzene-1-sulfonate?
You can request a quote for 3-Chlorophenyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorophenyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorophenyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.