![(Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/713/713089-08-8.png)
(Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 713089-08-8) is a chemical compound with molecular formula C26H25N5O7 and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(3-ethoxypropyl)-6-(2-nitrobenzoyl)imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-1-(3-ethoxypropyl)-2-{[(2-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C26H25N5O7 |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 2.9018 |
| Topological Polar Surface Area | 147.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1754 |
| Heavy Atoms | 38 |
| Complexity | 1672.7183 |
Chemical Identifiers
| CAS Number | 713089-08-8 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
(Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 713089-08-8), with molecular formula C26H25N5O7 and molecular weight 519.18 g/mol. IUPAC: ethyl 7-(3-ethoxypropyl)-6-(2-nitrobenzoyl)imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Property Insights of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 2.9018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. The TPSA of 147.4 Ų indicates high polarity, suggesting (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The CAS number of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 713089-08-8.
What is the molecular formula of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular formula of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C26H25N5O7.
What is the molecular weight of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular weight of (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 519.18 g/mol.
Where can I buy (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
You can request a quote for (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 1-(3-ethoxypropyl)-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.