4-Iodocinnamic acid
TL;DR: 4-Iodocinnamic acid (CAS 113641-76-2) is a chemical compound with molecular formula C9H7IO2 and molecular weight 273.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-iodophenyl)prop-2-enoic acid
Also Known As: 4-Iodocinnamic acid, 3-(4-iodophenyl)prop-2-enoic Acid, 3-(4-iodophenyl)acrylic acid, 4-Jod-zimtsaeure, 4-Iodo-cinnamic acid
| Molecular Formula | C9H7IO2 |
|---|---|
| Molecular Weight | 273.95 g/mol |
| LogP | 2.389 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.94907 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 113641-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)I |
Product Overview
4-Iodocinnamic acid (CAS 113641-76-2), with molecular formula C9H7IO2 and molecular weight 273.95 g/mol. IUPAC: 3-(4-iodophenyl)prop-2-enoic acid.
Chemical Property Profile of 4-Iodocinnamic acid
Property Insights of 4-Iodocinnamic acid
The XLogP value of 2.389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Iodocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodocinnamic acid has 1 hydrogen bond donor(s) and 1 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-Iodocinnamic acid?
The CAS number of 4-Iodocinnamic acid is 113641-76-2.
What is the molecular formula of 4-Iodocinnamic acid?
The molecular formula of 4-Iodocinnamic acid is C9H7IO2.
What is the molecular weight of 4-Iodocinnamic acid?
The molecular weight of 4-Iodocinnamic acid is 273.95 g/mol.
Where can I buy 4-Iodocinnamic acid?
You can request a quote for 4-Iodocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.