![ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/716/716340-12-4.png)
ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 716340-12-4) is a chemical compound with molecular formula C27H27N5O6 and molecular weight 517.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-butyl-11-methyl-6-(2-methyl-3-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: ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, (Z)-ethyl 1-butyl-10-methyl-2-((2-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C27H27N5O6 |
|---|---|
| Molecular Weight | 517.20 g/mol |
| LogP | 3.89214 |
| Topological Polar Surface Area | 138.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1961 |
| Heavy Atoms | 38 |
| Complexity | 1734.5618 |
Chemical Identifiers
| CAS Number | 716340-12-4 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 716340-12-4), with molecular formula C27H27N5O6 and molecular weight 517.20 g/mol. IUPAC: ethyl 7-butyl-11-methyl-6-(2-methyl-3-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 ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Property Insights of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 3.89214 indicates that ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-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 ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-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 ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The CAS number of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 716340-12-4.
What is the molecular formula of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular formula of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C27H27N5O6.
What is the molecular weight of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular weight of ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 517.20 g/mol.
Where can I buy ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
You can request a quote for ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-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 ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-1-butyl-10-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.