![9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione structure](/static/products/893/893953-98-5.png)
9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
TL;DR: 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione (CAS 893953-98-5) is a chemical compound with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8H-1,3-diaz aperhydroino[1,2-h]purine-2,4-dione, 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C23H22FN5O2 |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.17575 |
| Heavy Atoms | 31 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 893953-98-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)F |
| InChIKey | WIEIIAOOLPCANQ-UHFFFAOYSA-N |
Product Overview
9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione (CAS 893953-98-5), with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol. IUPAC: 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
Property Insights of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
The XLogP value of 3.7 indicates that 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione. Following Lipinski's Rule of Five, 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-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-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione?
The CAS number of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione is 893953-98-5.
What is the molecular formula of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione?
The molecular formula of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione is C23H22FN5O2.
What is the molecular weight of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione?
The molecular weight of 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione is 419.18 g/mol.
Where can I buy 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione?
You can request a quote for 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]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-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-fluorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.