![(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide structure](/static/products/714/714947-40-7.png)
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
TL;DR: (E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 714947-40-7) is a chemical compound with molecular formula C25H22N6O5 and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-2-oxo-7-(3-propan-2-yloxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide, N-{(2E)-3-cyano-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-3-nitrobenzamide
| Molecular Formula | C25H22N6O5 |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 2.98528 |
| Topological Polar Surface Area | 144.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.16516 |
| Heavy Atoms | 36 |
| Complexity | 1662.1613 |
Chemical Identifiers
| CAS Number | 714947-40-7 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
(E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide (CAS 714947-40-7), with molecular formula C25H22N6O5 and molecular weight 486.17 g/mol. IUPAC: N-[5-cyano-2-oxo-7-(3-propan-2-yloxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
Property Insights of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide
The XLogP value of 2.98528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide. The TPSA of 144.89 Ų indicates high polarity, suggesting (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 714947-40-7.
What is the molecular formula of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is C25H22N6O5.
What is the molecular weight of (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3-nitrobenzamide is 486.17 g/mol.
Where can I buy (E)-N-(3-cyano-1-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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-(3-isopropoxypropyl)-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.