2-Chlorophenyl 3,4-dimethylbenzenesulfonate
TL;DR: 2-Chlorophenyl 3,4-dimethylbenzenesulfonate (CAS 71795-99-8) is a chemical compound with molecular formula C14H13ClO3S and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 3,4-dimethylbenzenesulfonate
Also Known As: 2-chlorophenyl 3,4-dimethylbenzenesulfonate, (2-chlorophenyl) 3,4-dimethylbenzenesulfonate
| Molecular Formula | C14H13ClO3S |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 3.72454 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0274 |
| Heavy Atoms | 19 |
| Complexity | 708.38104 |
Chemical Identifiers
| CAS Number | 71795-99-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Cl)C |
Product Overview
2-Chlorophenyl 3,4-dimethylbenzenesulfonate (CAS 71795-99-8), with molecular formula C14H13ClO3S and molecular weight 296.03 g/mol. IUPAC: (2-chlorophenyl) 3,4-dimethylbenzenesulfonate.
Chemical Property Profile of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate
Property Insights of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate
The XLogP value of 3.72454 indicates that 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Chlorophenyl 3,4-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 3,4-dimethylbenzenesulfonate 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 3,4-dimethylbenzenesulfonate?
The CAS number of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is 71795-99-8.
What is the molecular formula of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
The molecular formula of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is C14H13ClO3S.
What is the molecular weight of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
The molecular weight of 2-Chlorophenyl 3,4-dimethylbenzenesulfonate is 296.03 g/mol.
Where can I buy 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
You can request a quote for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 3,4-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.