![3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide structure](/static/products/5268/5268-30-4.webp)
3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
TL;DR: 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide (CAS 5268-30-4) is a chemical compound with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloro-3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide
Also Known As: 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide, 3-[2-(4-chloro-3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide
| Molecular Formula | C22H17ClN4O3 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.0989 |
| Heavy Atoms | 30 |
| Complexity | 1271.5933 |
Chemical Identifiers
| CAS Number | 5268-30-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NCC=C)Cl |
Product Overview
3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide (CAS 5268-30-4), with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol. IUPAC: 3-[2-(4-chloro-3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Property Insights of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
The XLogP value of 3.6578 indicates that 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide. Following Lipinski's Rule of Five, 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide?
The CAS number of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide is 5268-30-4.
What is the molecular formula of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide?
The molecular formula of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide is C22H17ClN4O3.
What is the molecular weight of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide?
The molecular weight of 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide is 420.10 g/mol.
Where can I buy 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide?
You can request a quote for 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.