![(E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide structure](/static/products/674/674357-33-6.png)
(E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
TL;DR: (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 674357-33-6) is a chemical compound with molecular formula C24H20N6O4 and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3-nitrobenzamide
Also Known As: (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide, N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C24H20N6O4 |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 3.2787 |
| Topological Polar Surface Area | 135.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.1546 |
| Heavy Atoms | 34 |
| Complexity | 1642.1418 |
Chemical Identifiers
| CAS Number | 674357-33-6 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
(E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 674357-33-6), with molecular formula C24H20N6O4 and molecular weight 456.15 g/mol. IUPAC: N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-3-nitrobenzamide.
Chemical Property Profile of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
Property Insights of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
The XLogP value of 3.2787 indicates that (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide. Following Lipinski's Rule of Five, (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide 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 (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The CAS number of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 674357-33-6.
What is the molecular formula of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The molecular formula of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is C24H20N6O4.
What is the molecular weight of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The molecular weight of (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 456.15 g/mol.
Where can I buy (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
You can request a quote for (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.