Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester
TL;DR: Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester (CAS 63361-46-6) is a chemical compound with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3,5-dimethylphenyl) phenylmethanesulfonate
Also Known As: 4-Chloro-3,5-dimethylphenyl benzenemethanesulfonate, Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester, 4-Chloro-3,5-dimethylphenyl phenylmethanesulfonate, (4-chloro-3,5-dimethylphenyl) phenylmethanesulfonate, BRN 2383587
| Molecular Formula | C15H15ClO3S |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 3.86564 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.04303 |
| Heavy Atoms | 20 |
| Complexity | 686.1485 |
Chemical Identifiers
| CAS Number | 63361-46-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)CC2=CC=CC=C2 |
Product Overview
Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester (CAS 63361-46-6), with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol. IUPAC: (4-chloro-3,5-dimethylphenyl) phenylmethanesulfonate.
Chemical Property Profile of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester
Property Insights of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester
The XLogP value of 3.86564 indicates that Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester 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 Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester?
The CAS number of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester is 63361-46-6.
What is the molecular formula of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester?
The molecular formula of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester is C15H15ClO3S.
What is the molecular weight of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester?
The molecular weight of Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester is 310.04 g/mol.
Where can I buy Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester?
You can request a quote for Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonic acid, 4-chloro-3,5-dimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.