![(Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/714/714253-98-2.png)
(Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 714253-98-2) is a chemical compound with molecular formula C28H29N5O7 and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-methyl-6-(3-nitrobenzoyl)imino-2-oxo-7-(3-propan-2-yloxypropyl)-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-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-2-{[(3-nitrophenyl)carbonyl]imino}-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C28H29N5O7 |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 3.59872 |
| Topological Polar Surface Area | 147.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.2067 |
| Heavy Atoms | 40 |
| Complexity | 1754.3092 |
Chemical Identifiers
| CAS Number | 714253-98-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])CCCOC(C)C |
Product Overview
(Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 714253-98-2), with molecular formula C28H29N5O7 and molecular weight 547.21 g/mol. IUPAC: ethyl 11-methyl-6-(3-nitrobenzoyl)imino-2-oxo-7-(3-propan-2-yloxypropyl)-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-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 3.59872 indicates that (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((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 147.4 Ų indicates high polarity, suggesting (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-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-isopropoxypropyl)-10-methyl-2-((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 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-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 714253-98-2.
What is the molecular formula of (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C28H29N5O7.
What is the molecular weight of (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 547.21 g/mol.
Where can I buy (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((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-(3-isopropoxypropyl)-10-methyl-2-((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.