![ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate structure](/static/products/879/879446-72-7.png)
ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate
TL;DR: ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate (CAS 879446-72-7) is a chemical compound with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate
Also Known As: UPCMLD0ENAT5876044:001, ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate, ethyl 4-(1-methyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl)benzoate, ethyl 4-(1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1,2-h ]purin-9-yl)benzoate, Ethyl 4-(1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1,2-h]purin-9-yl)benzoate
| Molecular Formula | C18H19N5O4 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 1.1418 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.1437 |
| Heavy Atoms | 27 |
| Complexity | 1139.4989 |
Chemical Identifiers
| CAS Number | 879446-72-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)NC(=O)N4C |
Product Overview
ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate (CAS 879446-72-7), with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol. IUPAC: ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate.
Chemical Property Profile of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate
Property Insights of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate
The XLogP value of 1.1418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate has 1 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-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate?
The CAS number of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate is 879446-72-7.
What is the molecular formula of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate?
The molecular formula of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate is C18H19N5O4.
What is the molecular weight of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate?
The molecular weight of ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate is 369.14 g/mol.
Where can I buy ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate?
You can request a quote for ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-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-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-9-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.