![{[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile structure](/static/products/796/796877-25-3.png)
{[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
TL;DR: {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile (CAS 796877-25-3) is a chemical compound with molecular formula C23H20N6O and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile
Also Known As: {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile, 2-((9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)malononitrile, 2-[[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile, 2-{[9-METHYL-4-OXO-2-(4-PHENYLPIPERAZIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}PROPANEDINITRILE
| Molecular Formula | C23H20N6O |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 2.76008 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.16986 |
| Heavy Atoms | 30 |
| Complexity | 1239.0686 |
Chemical Identifiers
| CAS Number | 796877-25-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C#N)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
{[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile (CAS 796877-25-3), with molecular formula C23H20N6O and molecular weight 396.17 g/mol. IUPAC: 2-[[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
Property Insights of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
The XLogP value of 2.76008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile. Following Lipinski's Rule of Five, {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile 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 {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile?
The CAS number of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile is 796877-25-3.
What is the molecular formula of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile?
The molecular formula of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile is C23H20N6O.
What is the molecular weight of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile?
The molecular weight of {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile is 396.17 g/mol.
Where can I buy {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile?
You can request a quote for {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.