4-Chlorophenyl 4-tert-butylbenzenesulfonate
TL;DR: 4-Chlorophenyl 4-tert-butylbenzenesulfonate (CAS 791796-72-0) 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) 4-tert-butylbenzenesulfonate
Also Known As: 4-chlorophenyl 4-tert-butylbenzenesulfonate, (4-chlorophenyl) 4-tert-butylbenzenesulfonate, 4-chlorophenyl 4-tert-butylbenzene-1-sulfonate, AN-652/43024793
| Molecular Formula | C16H17ClO3S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 4.4052 |
| 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 | 711.61255 |
Chemical Identifiers
| CAS Number | 791796-72-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorophenyl 4-tert-butylbenzenesulfonate (CAS 791796-72-0), with molecular formula C16H17ClO3S and molecular weight 324.06 g/mol. IUPAC: (4-chlorophenyl) 4-tert-butylbenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 4-tert-butylbenzenesulfonate
Property Insights of 4-Chlorophenyl 4-tert-butylbenzenesulfonate
The XLogP value of 4.4052 indicates that 4-Chlorophenyl 4-tert-butylbenzenesulfonate 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 4-tert-butylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-tert-butylbenzenesulfonate 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 4-tert-butylbenzenesulfonate?
The CAS number of 4-Chlorophenyl 4-tert-butylbenzenesulfonate is 791796-72-0.
What is the molecular formula of 4-Chlorophenyl 4-tert-butylbenzenesulfonate?
The molecular formula of 4-Chlorophenyl 4-tert-butylbenzenesulfonate is C16H17ClO3S.
What is the molecular weight of 4-Chlorophenyl 4-tert-butylbenzenesulfonate?
The molecular weight of 4-Chlorophenyl 4-tert-butylbenzenesulfonate is 324.06 g/mol.
Where can I buy 4-Chlorophenyl 4-tert-butylbenzenesulfonate?
You can request a quote for 4-Chlorophenyl 4-tert-butylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 4-tert-butylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.