AB01310983-01
TL;DR: AB01310983-01 (CAS 851937-83-2) 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.
7-benzyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB01310983-01, 7-benzyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C25H27FN6O2 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 1.9433 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.21796 |
| Heavy Atoms | 34 |
| Complexity | 1431.0303 |
Chemical Identifiers
| CAS Number | 851937-83-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5 |
Product Overview
AB01310983-01 (CAS 851937-83-2), with molecular formula C25H27FN6O2 and molecular weight 462.22 g/mol. IUPAC: 7-benzyl-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01310983-01
Property Insights of AB01310983-01
The XLogP value of 1.9433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01310983-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01310983-01. Following Lipinski's Rule of Five, AB01310983-01 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 AB01310983-01?
The CAS number of AB01310983-01 is 851937-83-2.
What is the molecular formula of AB01310983-01?
The molecular formula of AB01310983-01 is C25H27FN6O2.
What is the molecular weight of AB01310983-01?
The molecular weight of AB01310983-01 is 462.22 g/mol.
Where can I buy AB01310983-01?
You can request a quote for AB01310983-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01310983-01?
Yes, KEHONG BIO provides custom synthesis services for AB01310983-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.