AB00683016-01
TL;DR: AB00683016-01 (CAS 899727-72-1) is a chemical compound with molecular formula C21H27FN6O2 and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
Also Known As: AB00683016-01, F3124-1137, 8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-isopropyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione, 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
| Molecular Formula | C21H27FN6O2 |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 1.4759 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.21796 |
| Heavy Atoms | 30 |
| Complexity | 1183.4026 |
Chemical Identifiers
| CAS Number | 899727-72-1 |
|---|---|
| SMILES | CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
AB00683016-01 (CAS 899727-72-1), with molecular formula C21H27FN6O2 and molecular weight 414.22 g/mol. IUPAC: 8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of AB00683016-01
Property Insights of AB00683016-01
The XLogP value of 1.4759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00683016-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00683016-01. Following Lipinski's Rule of Five, AB00683016-01 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 AB00683016-01?
The CAS number of AB00683016-01 is 899727-72-1.
What is the molecular formula of AB00683016-01?
The molecular formula of AB00683016-01 is C21H27FN6O2.
What is the molecular weight of AB00683016-01?
The molecular weight of AB00683016-01 is 414.22 g/mol.
Where can I buy AB00683016-01?
You can request a quote for AB00683016-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00683016-01?
Yes, KEHONG BIO provides custom synthesis services for AB00683016-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.