4-Carboxychalcone
TL;DR: 4-Carboxychalcone (CAS 158236-40-9) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid
Also Known As: 4-carboxychalcone, chalcone-4-carboxylic, 4-carboxybenzalacetophenone, 4-(3-oxo-3-phenylpropenyl)-benzoic acid, 4-(3-Oxo-3-phenyl-propenyl)-benzoic acid
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 610.20215 |
Chemical Identifiers
| CAS Number | 158236-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O |
Product Overview
4-Carboxychalcone (CAS 158236-40-9), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 4-(3-oxo-3-phenylprop-1-enyl)benzoic acid.
Chemical Property Profile of 4-Carboxychalcone
Property Insights of 4-Carboxychalcone
The XLogP value of 3.2809 indicates that 4-Carboxychalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Carboxychalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Carboxychalcone has 1 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 4-Carboxychalcone?
The CAS number of 4-Carboxychalcone is 158236-40-9.
What is the molecular formula of 4-Carboxychalcone?
The molecular formula of 4-Carboxychalcone is C16H12O3.
What is the molecular weight of 4-Carboxychalcone?
The molecular weight of 4-Carboxychalcone is 252.08 g/mol.
Where can I buy 4-Carboxychalcone?
You can request a quote for 4-Carboxychalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxychalcone?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxychalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.