![(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide structure](/static/products/586/586992-89-4.png)
(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide
TL;DR: (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide (CAS 586992-89-4) is a chemical compound with molecular formula C24H21N5O2 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-2-methylbenzamide
Also Known As: (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide, N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-methylbenzamide
| Molecular Formula | C24H21N5O2 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.45972 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.16953 |
| Heavy Atoms | 31 |
| Complexity | 1534.4191 |
Chemical Identifiers
| CAS Number | 586992-89-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N=C2C(=CC3=C(N2C(C)C)N=C4C(=CC=CN4C3=O)C)C#N |
Product Overview
(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide (CAS 586992-89-4), with molecular formula C24H21N5O2 and molecular weight 411.17 g/mol. IUPAC: N-(5-cyano-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-2-methylbenzamide.
Chemical Property Profile of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide
Property Insights of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide
The XLogP value of 3.45972 indicates that (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide has 0 hydrogen bond donor(s) and 4 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-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide?
The CAS number of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide is 586992-89-4.
What is the molecular formula of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide?
The molecular formula of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide is C24H21N5O2.
What is the molecular weight of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide?
The molecular weight of (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide is 411.17 g/mol.
Where can I buy (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide?
You can request a quote for (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide 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-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.