4-Chlorophenyl 4-iodobenzenesulfonate
TL;DR: 4-Chlorophenyl 4-iodobenzenesulfonate (CAS 60977-46-0) is a chemical compound with molecular formula C12H8ClIO3S and molecular weight 393.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-iodobenzenesulfonate
Also Known As: 4-chlorophenyl 4-iodobenzenesulfonate, (4-chlorophenyl) 4-iodobenzenesulfonate
| Molecular Formula | C12H8ClIO3S |
|---|---|
| Molecular Weight | 393.89 g/mol |
| LogP | 3.7123 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.89273 |
| Heavy Atoms | 18 |
| Complexity | 636.02765 |
Chemical Identifiers
| CAS Number | 60977-46-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)I)Cl |
Product Overview
4-Chlorophenyl 4-iodobenzenesulfonate (CAS 60977-46-0), with molecular formula C12H8ClIO3S and molecular weight 393.89 g/mol. IUPAC: (4-chlorophenyl) 4-iodobenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 4-iodobenzenesulfonate
Property Insights of 4-Chlorophenyl 4-iodobenzenesulfonate
The XLogP value of 3.7123 indicates that 4-Chlorophenyl 4-iodobenzenesulfonate 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-iodobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-iodobenzenesulfonate 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-iodobenzenesulfonate?
The CAS number of 4-Chlorophenyl 4-iodobenzenesulfonate is 60977-46-0.
What is the molecular formula of 4-Chlorophenyl 4-iodobenzenesulfonate?
The molecular formula of 4-Chlorophenyl 4-iodobenzenesulfonate is C12H8ClIO3S.
What is the molecular weight of 4-Chlorophenyl 4-iodobenzenesulfonate?
The molecular weight of 4-Chlorophenyl 4-iodobenzenesulfonate is 393.89 g/mol.
Where can I buy 4-Chlorophenyl 4-iodobenzenesulfonate?
You can request a quote for 4-Chlorophenyl 4-iodobenzenesulfonate 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-iodobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-iodobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.