![9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione structure](/static/products/893/893958-68-4.png)
9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
TL;DR: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione (CAS 893958-68-4) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, 3-allyl-9-(3,4-dimethoxyphenethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 1.5527 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 1253.4905 |
Chemical Identifiers
| CAS Number | 893958-68-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione (CAS 893958-68-4), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
Property Insights of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
The XLogP value of 1.5527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione. Following Lipinski's Rule of Five, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-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]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione?
The CAS number of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione is 893958-68-4.
What is the molecular formula of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione?
The molecular formula of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione is C22H27N5O4.
What is the molecular weight of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione?
The molecular weight of 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione is 425.21 g/mol.
Where can I buy 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione?
You can request a quote for 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-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]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.