![(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2,6-difluorobenzamide structure](/static/products/840/840482-45-3.png)
(E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2,6-difluorobenzamide
TL;DR: (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2,6-difluorobenzamide (CAS 840482-45-3) is a chemical compound with molecular formula C23H17F2N5O2 and molecular weight 433.14 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)-2,6-difluorobenzamide
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)-2,6-difluorobenzamide, 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]-2,6-difluorobenzamide
| Molecular Formula | C23H17F2N5O2 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 3.4295 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.13504 |
| Heavy Atoms | 32 |
| Complexity | 1572.8379 |
Chemical Identifiers
| CAS Number | 840482-45-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=C(C=CC=C4F)F)N3C(C)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)-2,6-difluorobenzamide (CAS 840482-45-3), with molecular formula C23H17F2N5O2 and molecular weight 433.14 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)-2,6-difluorobenzamide.
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)-2,6-difluorobenzamide
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)-2,6-difluorobenzamide
The XLogP value of 3.4295 indicates that (E)-N-(3-cyano-1-isopropyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2,6-difluorobenzamide 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)-2,6-difluorobenzamide. 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)-2,6-difluorobenzamide 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)-2,6-difluorobenzamide?
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)-2,6-difluorobenzamide is 840482-45-3.
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)-2,6-difluorobenzamide?
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)-2,6-difluorobenzamide is C23H17F2N5O2.
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)-2,6-difluorobenzamide?
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)-2,6-difluorobenzamide is 433.14 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)-2,6-difluorobenzamide?
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)-2,6-difluorobenzamide 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)-2,6-difluorobenzamide?
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)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.