4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
TL;DR: 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate (CAS 664320-06-3) is a chemical compound with molecular formula C14H13ClO4S and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate
Also Known As: 4-chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate, AH-487/41815129, [4-chloro-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate
| Molecular Formula | C14H13ClO4S |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 2.90842 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0223 |
| Heavy Atoms | 20 |
| Complexity | 708.4538 |
Chemical Identifiers
| CAS Number | 664320-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CO |
Product Overview
4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate (CAS 664320-06-3), with molecular formula C14H13ClO4S and molecular weight 312.02 g/mol. IUPAC: [4-chloro-2-(hydroxymethyl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
Property Insights of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
The XLogP value of 2.90842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 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-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The CAS number of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is 664320-06-3.
What is the molecular formula of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The molecular formula of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is C14H13ClO4S.
What is the molecular weight of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
The molecular weight of 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate is 312.02 g/mol.
Where can I buy 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
You can request a quote for 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.