![(2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide structure](/static/products/796/796880-49-4.png)
(2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide (CAS 796880-49-4) is a chemical compound with molecular formula C27H28N6O3 and molecular weight 484.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide
Also Known As: (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide, (E)-2-cyano-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide, (E)-N-allyl-2-cyano-3-(2-(4-(4-methoxyphenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylamide
| Molecular Formula | C27H28N6O3 |
|---|---|
| Molecular Weight | 484.22 g/mol |
| LogP | 2.5473 |
| Topological Polar Surface Area | 102.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.2223 |
| Heavy Atoms | 36 |
| Complexity | 1410.4252 |
Chemical Identifiers
| CAS Number | 796880-49-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCC=C)N3CCN(CC3)C4=CC=C(C=C4)OC |
Product Overview
(2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide (CAS 796880-49-4), with molecular formula C27H28N6O3 and molecular weight 484.22 g/mol. IUPAC: (E)-2-cyano-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide
The XLogP value of 2.5473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide. The TPSA of 102.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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 7 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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide is 796880-49-4.
What is the molecular formula of (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide is C27H28N6O3.
What is the molecular weight of (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(prop-2-en-1-yl)prop-2-enamide is 484.22 g/mol.
Where can I buy (2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-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.