![(Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/5345/534577-45-2.webp)
(Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: (Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 534577-45-2) is a chemical compound with molecular formula C26H25N5O6 and molecular weight 503.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-methyl-3-nitrobenzoyl)imino-7-(2-methylpropyl)-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-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, F0565-0360, ethyl (6Z)-6-[(2-methyl-3-nitrobenzoyl)imino]-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl 6-(2-methyl-3-nitrobenzoyl)imino-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2Z)-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C26H25N5O6 |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 3.43962 |
| Topological Polar Surface Area | 138.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.18048 |
| Heavy Atoms | 37 |
| Complexity | 1700.079 |
Chemical Identifiers
| CAS Number | 534577-45-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)CC(C)C |
Product Overview
(Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 534577-45-2), with molecular formula C26H25N5O6 and molecular weight 503.18 g/mol. IUPAC: ethyl 6-(2-methyl-3-nitrobenzoyl)imino-7-(2-methylpropyl)-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-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Property Insights of (Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 3.43962 indicates that (Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 1-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 1-isobutyl-2-((2-methyl-3-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 7 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-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 534577-45-2.
What is the molecular formula of (Z)-ethyl 1-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C26H25N5O6.
What is the molecular weight of (Z)-ethyl 1-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 503.18 g/mol.
Where can I buy (Z)-ethyl 1-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-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-isobutyl-2-((2-methyl-3-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.