(4-Iodophenyl)methyl hexanoate
TL;DR: (4-Iodophenyl)methyl hexanoate (CAS 67987-33-1) is a chemical compound with molecular formula C13H17IO2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)methyl hexanoate
Also Known As: p-Iodobenzyl hexanoate, (4-iodophenyl)methyl hexanoate, Hexanoic acid p-iodobenzyl ester, HEXANOIC ACID, p-IODOBENZYL ESTER, RefChem:1050429
| Molecular Formula | C13H17IO2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.02734 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 67987-33-1 |
|---|---|
| SMILES | CCCCCC(=O)OCC1=CC=C(C=C1)I |
| InChIKey | MVLIAMWUQFBYME-UHFFFAOYSA-N |
Product Overview
(4-Iodophenyl)methyl hexanoate (CAS 67987-33-1), with molecular formula C13H17IO2 and molecular weight 332.03 g/mol. IUPAC: (4-iodophenyl)methyl hexanoate.
Chemical Property Profile of (4-Iodophenyl)methyl hexanoate
Property Insights of (4-Iodophenyl)methyl hexanoate
The XLogP value of 4.2 indicates that (4-Iodophenyl)methyl hexanoate 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)methyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Iodophenyl)methyl hexanoate 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)methyl hexanoate?
The CAS number of (4-Iodophenyl)methyl hexanoate is 67987-33-1.
What is the molecular formula of (4-Iodophenyl)methyl hexanoate?
The molecular formula of (4-Iodophenyl)methyl hexanoate is C13H17IO2.
What is the molecular weight of (4-Iodophenyl)methyl hexanoate?
The molecular weight of (4-Iodophenyl)methyl hexanoate is 332.03 g/mol.
Where can I buy (4-Iodophenyl)methyl hexanoate?
You can request a quote for (4-Iodophenyl)methyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Iodophenyl)methyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Iodophenyl)methyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.