![(Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure](/static/products/844/844836-95-9.png)
(Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
TL;DR: (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 844836-95-9) is a chemical compound with molecular formula C28H30N4O4 and molecular weight 486.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3,4-dimethylbenzoyl)imino-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(3,4-dimethylphenyl)carbonyl]imino}-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C28H30N4O4 |
|---|---|
| Molecular Weight | 486.23 g/mol |
| LogP | 4.37404 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.2267 |
| Heavy Atoms | 36 |
| Complexity | 1597.5155 |
Chemical Identifiers
| CAS Number | 844836-95-9 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=C(C=C3)C)C)C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
(Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 844836-95-9), with molecular formula C28H30N4O4 and molecular weight 486.23 g/mol. IUPAC: ethyl 6-(3,4-dimethylbenzoyl)imino-2-oxo-7-pentyl-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 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Property Insights of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
The XLogP value of 4.37404 indicates that (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-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 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The CAS number of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 844836-95-9.
What is the molecular formula of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular formula of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C28H30N4O4.
What is the molecular weight of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
The molecular weight of (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 486.23 g/mol.
Where can I buy (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
You can request a quote for (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-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 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-((3,4-dimethylbenzoyl)imino)-5-oxo-1-pentyl-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.