![9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/893/893957-65-8.png)
9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 893957-65-8) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3,4-dimethoxyphenethyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3- diazaperhydroino[1,2-h]purine-2,4-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 1.3866 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1206.7979 |
Chemical Identifiers
| CAS Number | 893957-65-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC(=C(C=C4)OC)OC)N(C1=O)C |
Product Overview
9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 893957-65-8), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 1.3866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione 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 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 893957-65-8.
What is the molecular formula of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C21H27N5O4.
What is the molecular weight of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 413.21 g/mol.
Where can I buy 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
You can request a quote for 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-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-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-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.