4-Chlorophenyl 4-ethoxybenzenesulfonate
TL;DR: 4-Chlorophenyl 4-ethoxybenzenesulfonate (CAS 428491-22-9) 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-chlorophenyl) 4-ethoxybenzenesulfonate
Also Known As: 4-chlorophenyl 4-ethoxybenzenesulfonate, (4-chlorophenyl) 4-ethoxybenzenesulfonate
| Molecular Formula | C14H13ClO4S |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 3.5064 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0223 |
| Heavy Atoms | 20 |
| Complexity | 663.325 |
Chemical Identifiers
| CAS Number | 428491-22-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorophenyl 4-ethoxybenzenesulfonate (CAS 428491-22-9), with molecular formula C14H13ClO4S and molecular weight 312.02 g/mol. IUPAC: (4-chlorophenyl) 4-ethoxybenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 4-ethoxybenzenesulfonate
Property Insights of 4-Chlorophenyl 4-ethoxybenzenesulfonate
The XLogP value of 3.5064 indicates that 4-Chlorophenyl 4-ethoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Chlorophenyl 4-ethoxybenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-ethoxybenzenesulfonate has 0 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-Chlorophenyl 4-ethoxybenzenesulfonate?
The CAS number of 4-Chlorophenyl 4-ethoxybenzenesulfonate is 428491-22-9.
What is the molecular formula of 4-Chlorophenyl 4-ethoxybenzenesulfonate?
The molecular formula of 4-Chlorophenyl 4-ethoxybenzenesulfonate is C14H13ClO4S.
What is the molecular weight of 4-Chlorophenyl 4-ethoxybenzenesulfonate?
The molecular weight of 4-Chlorophenyl 4-ethoxybenzenesulfonate is 312.02 g/mol.
Where can I buy 4-Chlorophenyl 4-ethoxybenzenesulfonate?
You can request a quote for 4-Chlorophenyl 4-ethoxybenzenesulfonate 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-ethoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-ethoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.