![(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile structure](/static/products/796/796876-87-4.png)
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
TL;DR: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 796876-87-4) is a chemical compound with molecular formula C22H25N5O3 and molecular weight 407.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile, (E)-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(morpholine-4-carbonyl)acrylonitrile, (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
| Molecular Formula | C22H25N5O3 |
|---|---|
| Molecular Weight | 407.20 g/mol |
| LogP | 1.84068 |
| Topological Polar Surface Area | 90.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.19574 |
| Heavy Atoms | 30 |
| Complexity | 1054.6079 |
Chemical Identifiers
| CAS Number | 796876-87-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N4CCOCC4 |
Product Overview
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 796876-87-4), with molecular formula C22H25N5O3 and molecular weight 407.20 g/mol. IUPAC: (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Property Insights of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
The XLogP value of 1.84068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile. The TPSA of 90.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile has 0 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)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The CAS number of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 796876-87-4.
What is the molecular formula of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is C22H25N5O3.
What is the molecular weight of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 407.20 g/mol.
Where can I buy (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile 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)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.