![(2E)-2-cyano-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-N-(3-methoxypropyl)prop-2-enamide structure](/static/products/799/799770-66-4.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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide (CAS 799770-66-4) is a chemical compound with molecular formula C28H32N6O4 and molecular weight 516.25 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-(3-methoxypropyl)prop-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-(3-methoxypropyl)prop-2-enamide, (E)-2-cyano-3-(2-(4-(4-methoxyphenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acrylamide, (E)-2-cyano-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-methoxypropyl)prop-2-enamide
| Molecular Formula | C28H32N6O4 |
|---|---|
| Molecular Weight | 516.25 g/mol |
| LogP | 2.3978 |
| Topological Polar Surface Area | 112.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.2485 |
| Heavy Atoms | 38 |
| Complexity | 1416.26 |
Chemical Identifiers
| CAS Number | 799770-66-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NCCCOC)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-(3-methoxypropyl)prop-2-enamide (CAS 799770-66-4), with molecular formula C28H32N6O4 and molecular weight 516.25 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-(3-methoxypropyl)prop-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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide
The XLogP value of 2.3978 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-(3-methoxypropyl)prop-2-enamide. The TPSA of 112.2 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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide is 799770-66-4.
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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide is C28H32N6O4.
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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide is 516.25 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-(3-methoxypropyl)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-(3-methoxypropyl)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-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.