![ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate structure](/static/products/840/840477-58-9.png)
ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate
TL;DR: ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate (CAS 840477-58-9) is a chemical compound with molecular formula C28H27N5O4 and molecular weight 497.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(11-butyl-6-methyl-10,12-dioxo-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraen-2-yl)benzoate
Also Known As: ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate, ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-1,5,6,7-tetrahydro-9H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9-yl)benzoate
| Molecular Formula | C28H27N5O4 |
|---|---|
| Molecular Weight | 497.21 g/mol |
| LogP | 4.12312 |
| Topological Polar Surface Area | 101.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.2063 |
| Heavy Atoms | 37 |
| Complexity | 1680.8055 |
Chemical Identifiers
| CAS Number | 840477-58-9 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC3=C(N(C2=NC1=O)C4=CC=C(C=C4)C(=O)OCC)N(N=C3C)C5=CC=CC=C5 |
Product Overview
ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate (CAS 840477-58-9), with molecular formula C28H27N5O4 and molecular weight 497.21 g/mol. IUPAC: ethyl 4-(11-butyl-6-methyl-10,12-dioxo-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraen-2-yl)benzoate.
Chemical Property Profile of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate
Property Insights of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate
The XLogP value of 4.12312 indicates that ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate 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 ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate?
The CAS number of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate is 840477-58-9.
What is the molecular formula of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate?
The molecular formula of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate is C28H27N5O4.
What is the molecular weight of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate?
The molecular weight of ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate is 497.21 g/mol.
Where can I buy ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate?
You can request a quote for ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-6,7-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9(5H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.