4-Iodophenyl 3-chlorobenzoate
TL;DR: 4-Iodophenyl 3-chlorobenzoate (CAS 331971-49-4) is a chemical compound with molecular formula C13H8ClIO2 and molecular weight 357.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) 3-chlorobenzoate
Also Known As: 4-Iodophenyl 3-chlorobenzoate, (4-iodophenyl) 3-chlorobenzoate, 4-Iodophenyl 3-chlorobenzoate #, 3-Chloro-benzoic acid 4-iodo-phenyl ester, BAS 00718483
| Molecular Formula | C13H8ClIO2 |
|---|---|
| Molecular Weight | 357.93 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.92575 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 331971-49-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)I |
| InChIKey | VTXYARLVLGVMNQ-UHFFFAOYSA-N |
Product Overview
4-Iodophenyl 3-chlorobenzoate (CAS 331971-49-4), with molecular formula C13H8ClIO2 and molecular weight 357.93 g/mol. IUPAC: (4-iodophenyl) 3-chlorobenzoate.
Chemical Property Profile of 4-Iodophenyl 3-chlorobenzoate
Property Insights of 4-Iodophenyl 3-chlorobenzoate
The XLogP value of 4.9 indicates that 4-Iodophenyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Iodophenyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodophenyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 2 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-Iodophenyl 3-chlorobenzoate?
The CAS number of 4-Iodophenyl 3-chlorobenzoate is 331971-49-4.
What is the molecular formula of 4-Iodophenyl 3-chlorobenzoate?
The molecular formula of 4-Iodophenyl 3-chlorobenzoate is C13H8ClIO2.
What is the molecular weight of 4-Iodophenyl 3-chlorobenzoate?
The molecular weight of 4-Iodophenyl 3-chlorobenzoate is 357.93 g/mol.
Where can I buy 4-Iodophenyl 3-chlorobenzoate?
You can request a quote for 4-Iodophenyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodophenyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodophenyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.