(3-Iodophenyl) butanoate
TL;DR: (3-Iodophenyl) butanoate (CAS 29052-07-1) 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.
(3-iodophenyl) butanoate
Also Known As: (3-iodophenyl) butanoate, 3-Iodophenyl butyrate, 3-Iodophenyl butyrate #, 3-IODOPHENYL BUTANOATE, Butyric acid, m-iodophenyl ester
| Molecular Formula | C10H11IO2 |
|---|---|
| Molecular Weight | 289.98 g/mol |
| LogP | 3.5 |
| 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 | 170.0 |
Chemical Identifiers
| CAS Number | 29052-07-1 |
|---|---|
| SMILES | CCCC(=O)OC1=CC(=CC=C1)I |
| InChIKey | JWOQOACTXCRCGB-UHFFFAOYSA-N |
Product Overview
(3-Iodophenyl) butanoate (CAS 29052-07-1), with molecular formula C10H11IO2 and molecular weight 289.98 g/mol. IUPAC: (3-iodophenyl) butanoate.
Chemical Property Profile of (3-Iodophenyl) butanoate
Property Insights of (3-Iodophenyl) butanoate
The XLogP value of 3.5 indicates that (3-Iodophenyl) butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Iodophenyl) butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Iodophenyl) butanoate 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 (3-Iodophenyl) butanoate?
The CAS number of (3-Iodophenyl) butanoate is 29052-07-1.
What is the molecular formula of (3-Iodophenyl) butanoate?
The molecular formula of (3-Iodophenyl) butanoate is C10H11IO2.
What is the molecular weight of (3-Iodophenyl) butanoate?
The molecular weight of (3-Iodophenyl) butanoate is 289.98 g/mol.
Where can I buy (3-Iodophenyl) butanoate?
You can request a quote for (3-Iodophenyl) butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Iodophenyl) butanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Iodophenyl) butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.