ChemDiv2_007145
TL;DR: ChemDiv2_007145 (CAS 847408-93-9) is a chemical compound with molecular formula C25H27FN6O2 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: ChemDiv2_007145, IDI1_005860, 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
| Molecular Formula | C25H27FN6O2 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 2.1273 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.21796 |
| Heavy Atoms | 34 |
| Complexity | 1417.1128 |
Chemical Identifiers
| CAS Number | 847408-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CCC5=CC=CC=C5 |
Product Overview
ChemDiv2_007145 (CAS 847408-93-9), with molecular formula C25H27FN6O2 and molecular weight 462.22 g/mol. IUPAC: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of ChemDiv2_007145
Property Insights of ChemDiv2_007145
The XLogP value of 2.1273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007145. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007145. Following Lipinski's Rule of Five, ChemDiv2_007145 has 1 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 ChemDiv2_007145?
The CAS number of ChemDiv2_007145 is 847408-93-9.
What is the molecular formula of ChemDiv2_007145?
The molecular formula of ChemDiv2_007145 is C25H27FN6O2.
What is the molecular weight of ChemDiv2_007145?
The molecular weight of ChemDiv2_007145 is 462.22 g/mol.
Where can I buy ChemDiv2_007145?
You can request a quote for ChemDiv2_007145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007145?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.