Methyl-4-iodocinnamate
TL;DR: Methyl-4-iodocinnamate (CAS 93677-03-3) is a chemical compound with molecular formula C10H9IO2 and molecular weight 287.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-iodophenyl)prop-2-enoate
Also Known As: Methyl-4-iodocinnamate, Methyl-4-iodo-cinnamate, 3-(4-Iodo-phenyl)-acrylic acid methyl ester, 2-Propenoic acid, 3-(4-iodophenyl)-, methyl ester
| Molecular Formula | C10H9IO2 |
|---|---|
| Molecular Weight | 287.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.96472 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 93677-03-3 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)I |
| InChIKey | IDATZIWFZZIKNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-4-iodocinnamate (CAS 93677-03-3), with molecular formula C10H9IO2 and molecular weight 287.96 g/mol. IUPAC: methyl 3-(4-iodophenyl)prop-2-enoate.
Chemical Property Profile of Methyl-4-iodocinnamate
Property Insights of Methyl-4-iodocinnamate
The XLogP value of 3.3 indicates that Methyl-4-iodocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl-4-iodocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-4-iodocinnamate 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 Methyl-4-iodocinnamate?
The CAS number of Methyl-4-iodocinnamate is 93677-03-3.
What is the molecular formula of Methyl-4-iodocinnamate?
The molecular formula of Methyl-4-iodocinnamate is C10H9IO2.
What is the molecular weight of Methyl-4-iodocinnamate?
The molecular weight of Methyl-4-iodocinnamate is 287.96 g/mol.
Where can I buy Methyl-4-iodocinnamate?
You can request a quote for Methyl-4-iodocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-4-iodocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-iodocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.