Methyl 3-iodo-4-phenoxybenzoate
TL;DR: Methyl 3-iodo-4-phenoxybenzoate (CAS 100725-29-9) is a chemical compound with molecular formula C14H11IO3 and molecular weight 353.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-iodo-4-phenoxybenzoate
Also Known As: methyl 3-iodo-4-phenoxybenzoate, methyl3-iodo-4-phenoxybenzoate, methyl 3-iodo-4-phenoxy-benzoate, 3-Jod-4-phenoxy-benzoesaeure-methylester, 3-Iodo-4-phenoxybenzoic acid methyl ester
| Molecular Formula | C14H11IO3 |
|---|---|
| Molecular Weight | 353.98 g/mol |
| LogP | 3.8701 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.97528 |
| Heavy Atoms | 18 |
| Complexity | 552.2205 |
Chemical Identifiers
| CAS Number | 100725-29-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)I |
Product Overview
Methyl 3-iodo-4-phenoxybenzoate (CAS 100725-29-9), with molecular formula C14H11IO3 and molecular weight 353.98 g/mol. IUPAC: methyl 3-iodo-4-phenoxybenzoate.
Chemical Property Profile of Methyl 3-iodo-4-phenoxybenzoate
Property Insights of Methyl 3-iodo-4-phenoxybenzoate
The XLogP value of 3.8701 indicates that Methyl 3-iodo-4-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-iodo-4-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-iodo-4-phenoxybenzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-iodo-4-phenoxybenzoate?
The CAS number of Methyl 3-iodo-4-phenoxybenzoate is 100725-29-9.
What is the molecular formula of Methyl 3-iodo-4-phenoxybenzoate?
The molecular formula of Methyl 3-iodo-4-phenoxybenzoate is C14H11IO3.
What is the molecular weight of Methyl 3-iodo-4-phenoxybenzoate?
The molecular weight of Methyl 3-iodo-4-phenoxybenzoate is 353.98 g/mol.
Where can I buy Methyl 3-iodo-4-phenoxybenzoate?
You can request a quote for Methyl 3-iodo-4-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-iodo-4-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-iodo-4-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.