![(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide structure](/static/products/575/575460-70-7.png)
(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide
TL;DR: (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide (CAS 575460-70-7) is a chemical compound with molecular formula C25H22N6O4 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2-methyl-3-nitrobenzamide
Also Known As: (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide, N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methyl-3-nitrobenzamide
| Molecular Formula | C25H22N6O4 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 3.44302 |
| Topological Polar Surface Area | 135.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.17026 |
| Heavy Atoms | 35 |
| Complexity | 1706.1711 |
Chemical Identifiers
| CAS Number | 575460-70-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)N3CC(C)C)C#N |
Product Overview
(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide (CAS 575460-70-7), with molecular formula C25H22N6O4 and molecular weight 470.17 g/mol. IUPAC: N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide
Property Insights of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide
The XLogP value of 3.44302 indicates that (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-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-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-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-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide?
The CAS number of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide is 575460-70-7.
What is the molecular formula of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide?
The molecular formula of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide is C25H22N6O4.
What is the molecular weight of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide?
The molecular weight of (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide is 470.17 g/mol.
Where can I buy (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide?
You can request a quote for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-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-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.