4-Methylphenyl 4-chlorobenzenesulfonate
TL;DR: 4-Methylphenyl 4-chlorobenzenesulfonate (CAS 37100-89-3) 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.
(4-methylphenyl) 4-chlorobenzenesulfonate
Also Known As: p-tolyl 4-chlorobenzenesulfonate, 4-methylphenyl 4-chlorobenzenesulfonate, 4-Chloro-benzenesulfonic acid p-tolyl ester, (4-methylphenyl) 4-chlorobenzenesulfonate, BAS 00355166
| Molecular Formula | C13H11ClO3S |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 4.1 |
| 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 | 347.0 |
Chemical Identifiers
| CAS Number | 37100-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ZAXNCRKVXUFGOF-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 4-chlorobenzenesulfonate (CAS 37100-89-3), with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol. IUPAC: (4-methylphenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-Methylphenyl 4-chlorobenzenesulfonate
Property Insights of 4-Methylphenyl 4-chlorobenzenesulfonate
The XLogP value of 4.1 indicates that 4-Methylphenyl 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methylphenyl 4-chlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 4-chlorobenzenesulfonate 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-Methylphenyl 4-chlorobenzenesulfonate?
The CAS number of 4-Methylphenyl 4-chlorobenzenesulfonate is 37100-89-3.
What is the molecular formula of 4-Methylphenyl 4-chlorobenzenesulfonate?
The molecular formula of 4-Methylphenyl 4-chlorobenzenesulfonate is C13H11ClO3S.
What is the molecular weight of 4-Methylphenyl 4-chlorobenzenesulfonate?
The molecular weight of 4-Methylphenyl 4-chlorobenzenesulfonate is 282.01 g/mol.
Where can I buy 4-Methylphenyl 4-chlorobenzenesulfonate?
You can request a quote for 4-Methylphenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.