4-Formylcinnamic acid
TL;DR: 4-Formylcinnamic acid (CAS 23359-08-2) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-formylphenyl)prop-2-enoic acid
Also Known As: 4-Formylcinnamic acid, Ozagrel Impurity 46, p-Formylcinnamicacid, 4-Formylcinnamicacid, p-Formylcinnamic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 23359-08-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)C=O |
| InChIKey | LBOUHDMYVURTMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Formylcinnamic acid (CAS 23359-08-2), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 3-(4-formylphenyl)prop-2-enoic acid.
Chemical Property Profile of 4-Formylcinnamic acid
Property Insights of 4-Formylcinnamic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formylcinnamic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Formylcinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formylcinnamic acid has 1 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 4-Formylcinnamic acid?
The CAS number of 4-Formylcinnamic acid is 23359-08-2.
What is the molecular formula of 4-Formylcinnamic acid?
The molecular formula of 4-Formylcinnamic acid is C10H8O3.
What is the molecular weight of 4-Formylcinnamic acid?
The molecular weight of 4-Formylcinnamic acid is 176.05 g/mol.
Where can I buy 4-Formylcinnamic acid?
You can request a quote for 4-Formylcinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formylcinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylcinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.