4-Iodophenyl butyrate
TL;DR: 4-Iodophenyl butyrate (CAS 29052-08-2) is a chemical compound with molecular formula C10H11IO2 and molecular weight 289.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) butanoate
Also Known As: 4-Iodophenyl butyrate, 4-iodophenyl butanoate, (4-iodophenyl) butanoate, 4-Iodophenyl butyrate #, Butyric acid, p-iodophenyl ester
| Molecular Formula | C10H11IO2 |
|---|---|
| Molecular Weight | 289.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.98038 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 29052-08-2 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)I |
| InChIKey | FHKUQGMEUYZHFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodophenyl butyrate (CAS 29052-08-2), with molecular formula C10H11IO2 and molecular weight 289.98 g/mol. IUPAC: (4-iodophenyl) butanoate.
Chemical Property Profile of 4-Iodophenyl butyrate
Property Insights of 4-Iodophenyl butyrate
The XLogP value of 3.2 indicates that 4-Iodophenyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodophenyl butyrate 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 butyrate?
The CAS number of 4-Iodophenyl butyrate is 29052-08-2.
What is the molecular formula of 4-Iodophenyl butyrate?
The molecular formula of 4-Iodophenyl butyrate is C10H11IO2.
What is the molecular weight of 4-Iodophenyl butyrate?
The molecular weight of 4-Iodophenyl butyrate is 289.98 g/mol.
Where can I buy 4-Iodophenyl butyrate?
You can request a quote for 4-Iodophenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodophenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.