Chalcone deriv
TL;DR: Chalcone deriv (CAS 399040-49-4) is a chemical compound with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Also Known As: Chalcone deriv, (E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one, AP-845/42065531, 3-(2-chloro-6,7-dimethoxy-3-quinolinyl)-1-(3,4-dimethoxyphenyl)-2-propen-1-one, (E)-3-(2-chloro-6,7-dimethoxy-3-quinolyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C22H20ClNO5 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.8187 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.103 |
| Heavy Atoms | 29 |
| Complexity | 1094.243 |
Chemical Identifiers
| CAS Number | 399040-49-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/C2=C(N=C3C=C(C(=CC3=C2)OC)OC)Cl)OC |
Product Overview
Chalcone deriv (CAS 399040-49-4), with molecular formula C22H20ClNO5 and molecular weight 413.10 g/mol. IUPAC: (E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of Chalcone deriv
Property Insights of Chalcone deriv
The XLogP value of 4.8187 indicates that Chalcone deriv is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Chalcone deriv. Following Lipinski's Rule of Five, Chalcone deriv has 0 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 Chalcone deriv?
The CAS number of Chalcone deriv is 399040-49-4.
What is the molecular formula of Chalcone deriv?
The molecular formula of Chalcone deriv is C22H20ClNO5.
What is the molecular weight of Chalcone deriv?
The molecular weight of Chalcone deriv is 413.10 g/mol.
Where can I buy Chalcone deriv?
You can request a quote for Chalcone deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chalcone deriv?
Yes, KEHONG BIO provides custom synthesis services for Chalcone deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.