![(E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide structure](/static/products/799/799771-40-7.png)
(E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide
TL;DR: (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide (CAS 799771-40-7) is a chemical compound with molecular formula C21H23N5O2 and molecular weight 377.19 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-cyano-N-prop-2-enylprop-2-enamide
Also Known As: (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide, (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide, (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide
| Molecular Formula | C21H23N5O2 |
|---|---|
| Molecular Weight | 377.19 g/mol |
| LogP | 2.28408 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.18518 |
| Heavy Atoms | 28 |
| Complexity | 1007.6084 |
Chemical Identifiers
| CAS Number | 799771-40-7 |
|---|---|
| SMILES | C=CCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)/C#N |
Product Overview
(E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide (CAS 799771-40-7), with molecular formula C21H23N5O2 and molecular weight 377.19 g/mol. IUPAC: (E)-3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide
Property Insights of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide
The XLogP value of 2.28408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide. Following Lipinski's Rule of Five, (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide 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 (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide?
The CAS number of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide is 799771-40-7.
What is the molecular formula of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide?
The molecular formula of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide is C21H23N5O2.
What is the molecular weight of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide?
The molecular weight of (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide is 377.19 g/mol.
Where can I buy (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide?
You can request a quote for (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-allyl-3-(2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.