2-Formylcinnamic acid
TL;DR: 2-Formylcinnamic acid (CAS 13004-40-5) is a chemical compound with molecular formula C18H13ClO6 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxochromene-2-carboxylate
Also Known As: 2-Formylcinnamic acid, 4H-1-Benzopyran-2-carboxylic acid, 3-(p-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester, 3-(p-Chlorophenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester, ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxochromene-2-carboxylate, Ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C18H13ClO6 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 3.7013 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.04007 |
| Heavy Atoms | 25 |
| Complexity | 1020.4011 |
Chemical Identifiers
| CAS Number | 13004-40-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)Cl |
Product Overview
2-Formylcinnamic acid (CAS 13004-40-5), with molecular formula C18H13ClO6 and molecular weight 360.04 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of 2-Formylcinnamic acid
Property Insights of 2-Formylcinnamic acid
The XLogP value of 3.7013 indicates that 2-Formylcinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formylcinnamic acid. Following Lipinski's Rule of Five, 2-Formylcinnamic acid has 2 hydrogen bond donor(s) and 6 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 2-Formylcinnamic acid?
The CAS number of 2-Formylcinnamic acid is 13004-40-5.
What is the molecular formula of 2-Formylcinnamic acid?
The molecular formula of 2-Formylcinnamic acid is C18H13ClO6.
What is the molecular weight of 2-Formylcinnamic acid?
The molecular weight of 2-Formylcinnamic acid is 360.04 g/mol.
Where can I buy 2-Formylcinnamic acid?
You can request a quote for 2-Formylcinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formylcinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Formylcinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.