![1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/893/893949-70-7.png)
1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 893949-70-7) is a chemical compound with molecular formula C26H27N5O2 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-9-(2-phenylethyl)-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-cinnamyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 1-methyl-9-phenethyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-((2E)-3-phenylprop-2-enyl)-1-methyl-9-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8 H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C26H27N5O2 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.0629 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.21646 |
| Heavy Atoms | 33 |
| Complexity | 1414.5873 |
Chemical Identifiers
| CAS Number | 893949-70-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCCN(C4=N2)CCC5=CC=CC=C5 |
Product Overview
1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 893949-70-7), with molecular formula C26H27N5O2 and molecular weight 441.22 g/mol. IUPAC: 1-methyl-9-(2-phenylethyl)-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 3.0629 indicates that 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-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 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 4 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 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 893949-70-7.
What is the molecular formula of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C26H27N5O2.
What is the molecular weight of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 441.22 g/mol.
Where can I buy 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
You can request a quote for 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-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 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-9-(2-phenylethyl)-3-[(2E)-3-phenylprop-2-en-1-yl]-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.