![(E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/6858/685859-95-4.webp)
(E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 685859-95-4) is a chemical compound with molecular formula C24H23N5O4 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(2-methylpropyl)-2-oxo-6-(pyridine-4-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, F0595-0049, ethyl 7-(2-methylpropyl)-2-oxo-6-(pyridine-4-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2E)-1-(2-methylpropyl)-5-oxo-2-[(pyridin-4-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 1-ISOBUTYL-5-OXO-2-[(4-PYRIDYLCARBONYL)IMINO]-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C24H23N5O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 2.618 |
| Topological Polar Surface Area | 107.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.17502 |
| Heavy Atoms | 33 |
| Complexity | 1486.2883 |
Chemical Identifiers
| CAS Number | 685859-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=NC=C4)CC(C)C |
Product Overview
(E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 685859-95-4), with molecular formula C24H23N5O4 and molecular weight 445.18 g/mol. IUPAC: ethyl 7-(2-methylpropyl)-2-oxo-6-(pyridine-4-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Property Insights of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 2.618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. The TPSA of 107.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate has 0 hydrogen bond donor(s) and 6 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)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The CAS number of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 685859-95-4.
What is the molecular formula of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular formula of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C24H23N5O4.
What is the molecular weight of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular weight of (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 445.18 g/mol.
Where can I buy (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
You can request a quote for (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-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 (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 1-isobutyl-2-(isonicotinoylimino)-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.