![9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/844/844448-41-5.png)
9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 844448-41-5) is a chemical compound with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-ethoxyphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-ethoxyphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(4-ethoxyphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-ethoxyphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-1,3,5-trihydro-6H,7 H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C26H29N5O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 3.43992 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.22705 |
| Heavy Atoms | 34 |
| Complexity | 1479.5814 |
Chemical Identifiers
| CAS Number | 844448-41-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=CC=C5C)C |
Product Overview
9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 844448-41-5), with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol. IUPAC: 9-(4-ethoxyphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 3.43992 indicates that 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione 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 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 844448-41-5.
What is the molecular formula of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C26H29N5O3.
What is the molecular weight of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 459.23 g/mol.
Where can I buy 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
You can request a quote for 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.