![(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide structure](/static/products/897/897835-45-9.png)
(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide
TL;DR: (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide (CAS 897835-45-9) is a chemical compound with molecular formula C25H31N5O2 and molecular weight 433.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide
Also Known As: (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide, (E)-3-(2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-cyclohexylacrylamide, (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide
| Molecular Formula | C25H31N5O2 |
|---|---|
| Molecular Weight | 433.25 g/mol |
| LogP | 3.7392 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.24777 |
| Heavy Atoms | 32 |
| Complexity | 1113.579 |
Chemical Identifiers
| CAS Number | 897835-45-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCCCC3)N4CCCCCC4 |
Product Overview
(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide (CAS 897835-45-9), with molecular formula C25H31N5O2 and molecular weight 433.25 g/mol. IUPAC: (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide.
Chemical Property Profile of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide
Property Insights of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide
The XLogP value of 3.7392 indicates that (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-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 (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide?
The CAS number of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide is 897835-45-9.
What is the molecular formula of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide?
The molecular formula of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide is C25H31N5O2.
What is the molecular weight of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide?
The molecular weight of (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide is 433.25 g/mol.
Where can I buy (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide?
You can request a quote for (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-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)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclohexylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.