![(2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide structure](/static/products/796/796878-35-8.png)
(2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide
TL;DR: (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide (CAS 796878-35-8) is a chemical compound with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide
Also Known As: (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide, (E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide, (E)-N-allyl-2-cyano-3-(9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylamide
| Molecular Formula | C21H24N6O2 |
|---|---|
| Molecular Weight | 392.20 g/mol |
| LogP | 0.9639 |
| Topological Polar Surface Area | 93.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.19608 |
| Heavy Atoms | 29 |
| Complexity | 1070.9934 |
Chemical Identifiers
| CAS Number | 796878-35-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC=C)N3CCN(CC3)C |
Product Overview
(2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide (CAS 796878-35-8), with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol. IUPAC: (E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide
Property Insights of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide
The XLogP value of 0.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide. The TPSA of 93.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide has 1 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 (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide?
The CAS number of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide is 796878-35-8.
What is the molecular formula of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide?
The molecular formula of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide is C21H24N6O2.
What is the molecular weight of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide?
The molecular weight of (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide is 392.20 g/mol.
Where can I buy (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide?
You can request a quote for (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-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 (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.