4-Iodobenzyl 4-nitrobenzoate
TL;DR: 4-Iodobenzyl 4-nitrobenzoate (CAS 662162-35-8) is a chemical compound with molecular formula C14H10INO4 and molecular weight 382.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)methyl 4-nitrobenzoate
Also Known As: 4-iodobenzyl 4-nitrobenzoate, (4-iodophenyl)methyl 4-nitrobenzoate, AB00338156-03
| Molecular Formula | C14H10INO4 |
|---|---|
| Molecular Weight | 382.97 g/mol |
| LogP | 3.5564 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.96545 |
| Heavy Atoms | 20 |
| Complexity | 622.6271 |
Chemical Identifiers
| CAS Number | 662162-35-8 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I |
Product Overview
4-Iodobenzyl 4-nitrobenzoate (CAS 662162-35-8), with molecular formula C14H10INO4 and molecular weight 382.97 g/mol. IUPAC: (4-iodophenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of 4-Iodobenzyl 4-nitrobenzoate
Property Insights of 4-Iodobenzyl 4-nitrobenzoate
The XLogP value of 3.5564 indicates that 4-Iodobenzyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Iodobenzyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-Iodobenzyl 4-nitrobenzoate 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-Iodobenzyl 4-nitrobenzoate?
The CAS number of 4-Iodobenzyl 4-nitrobenzoate is 662162-35-8.
What is the molecular formula of 4-Iodobenzyl 4-nitrobenzoate?
The molecular formula of 4-Iodobenzyl 4-nitrobenzoate is C14H10INO4.
What is the molecular weight of 4-Iodobenzyl 4-nitrobenzoate?
The molecular weight of 4-Iodobenzyl 4-nitrobenzoate is 382.97 g/mol.
Where can I buy 4-Iodobenzyl 4-nitrobenzoate?
You can request a quote for 4-Iodobenzyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodobenzyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodobenzyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.