Carbonitrile-chalcone 4
TL;DR: Carbonitrile-chalcone 4 (CAS 1432207-13-0) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
Also Known As: CN-Chalc4, Carbonitrile-chalcone 4, (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.84408 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 773.4813 |
Chemical Identifiers
| CAS Number | 1432207-13-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl)O |
Product Overview
Carbonitrile-chalcone 4 (CAS 1432207-13-0), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of Carbonitrile-chalcone 4
Property Insights of Carbonitrile-chalcone 4
The XLogP value of 3.84408 indicates that Carbonitrile-chalcone 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonitrile-chalcone 4. Following Lipinski's Rule of Five, Carbonitrile-chalcone 4 has 1 hydrogen bond donor(s) and 4 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 Carbonitrile-chalcone 4?
The CAS number of Carbonitrile-chalcone 4 is 1432207-13-0.
What is the molecular formula of Carbonitrile-chalcone 4?
The molecular formula of Carbonitrile-chalcone 4 is C17H12ClNO3.
What is the molecular weight of Carbonitrile-chalcone 4?
The molecular weight of Carbonitrile-chalcone 4 is 313.05 g/mol.
Where can I buy Carbonitrile-chalcone 4?
You can request a quote for Carbonitrile-chalcone 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonitrile-chalcone 4?
Yes, KEHONG BIO provides custom synthesis services for Carbonitrile-chalcone 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.