![(E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide structure](/static/products/577/577964-64-8.png)
(E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
TL;DR: (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 577964-64-8) is a chemical compound with molecular formula C25H16N6O5 and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-7-(furan-2-ylmethyl)-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-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide, N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C25H16N6O5 |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 3.1199 |
| Topological Polar Surface Area | 148.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.11823 |
| Heavy Atoms | 36 |
| Complexity | 1859.0709 |
Chemical Identifiers
| CAS Number | 577964-64-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N3CC5=CC=CO5)C#N |
Product Overview
(E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 577964-64-8), with molecular formula C25H16N6O5 and molecular weight 480.12 g/mol. IUPAC: N-[5-cyano-7-(furan-2-ylmethyl)-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-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
Property Insights of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
The XLogP value of 3.1199 indicates that (E)-N-(3-cyano-1-(furan-2-ylmethyl)-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 148.8 Ų indicates high polarity, suggesting (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-(3-cyano-1-(furan-2-ylmethyl)-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 7 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-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The CAS number of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 577964-64-8.
What is the molecular formula of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The molecular formula of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is C25H16N6O5.
What is the molecular weight of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide?
The molecular weight of (E)-N-(3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 480.12 g/mol.
Where can I buy (E)-N-(3-cyano-1-(furan-2-ylmethyl)-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-(3-cyano-1-(furan-2-ylmethyl)-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-(3-cyano-1-(furan-2-ylmethyl)-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-(3-cyano-1-(furan-2-ylmethyl)-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.