Octanoic acid, p-iodobenzyl ester
TL;DR: Octanoic acid, p-iodobenzyl ester (CAS 67987-34-2) is a chemical compound with molecular formula C15H21IO2 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)methyl octanoate
Also Known As: p-Iodobenzyl octanoate, (4-iodophenyl)methyl octanoate, Octanoicacidp-iodobenzylester, OCTANOIC ACID, p-IODOBENZYL ESTER, Octanoic acid p-iodobenzyl ester
| Molecular Formula | C15H21IO2 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.05862 |
| Heavy Atoms | 18 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 67987-34-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | SVYNEJFXKXPMLE-UHFFFAOYSA-N |
Product Overview
Octanoic acid, p-iodobenzyl ester (CAS 67987-34-2), with molecular formula C15H21IO2 and molecular weight 360.06 g/mol. IUPAC: (4-iodophenyl)methyl octanoate.
Chemical Property Profile of Octanoic acid, p-iodobenzyl ester
Property Insights of Octanoic acid, p-iodobenzyl ester
The XLogP value of 5.3 indicates that Octanoic acid, p-iodobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octanoic acid, p-iodobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, p-iodobenzyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, p-iodobenzyl ester?
The CAS number of Octanoic acid, p-iodobenzyl ester is 67987-34-2.
What is the molecular formula of Octanoic acid, p-iodobenzyl ester?
The molecular formula of Octanoic acid, p-iodobenzyl ester is C15H21IO2.
What is the molecular weight of Octanoic acid, p-iodobenzyl ester?
The molecular weight of Octanoic acid, p-iodobenzyl ester is 360.06 g/mol.
Where can I buy Octanoic acid, p-iodobenzyl ester?
You can request a quote for Octanoic acid, p-iodobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, p-iodobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, p-iodobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.