4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate
TL;DR: 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate (CAS 496013-74-2) is a chemical compound with molecular formula C16H17ClO3S and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2,3,5,6-tetramethylbenzenesulfonate
Also Known As: 4-chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate, (4-chlorophenyl) 2,3,5,6-tetramethylbenzenesulfonate
| Molecular Formula | C16H17ClO3S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 4.34138 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0587 |
| Heavy Atoms | 21 |
| Complexity | 751.90967 |
Chemical Identifiers
| CAS Number | 496013-74-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)Cl)C)C |
Product Overview
4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate (CAS 496013-74-2), with molecular formula C16H17ClO3S and molecular weight 324.06 g/mol. IUPAC: (4-chlorophenyl) 2,3,5,6-tetramethylbenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate
Property Insights of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate
The XLogP value of 4.34138 indicates that 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate 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-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate?
The CAS number of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate is 496013-74-2.
What is the molecular formula of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate?
The molecular formula of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate is C16H17ClO3S.
What is the molecular weight of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate?
The molecular weight of 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate is 324.06 g/mol.
Where can I buy 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate?
You can request a quote for 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2,3,5,6-tetramethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.