AB01288592-01
TL;DR: AB01288592-01 (CAS 838874-06-9) is a chemical compound with molecular formula C21H26ClFN6O2 and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB01288592-01, F0634-0228, 7-(2-chloro-6-fluorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H26ClFN6O2 |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 1.412 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.179 |
| Heavy Atoms | 31 |
| Complexity | 1219.1166 |
Chemical Identifiers
| CAS Number | 838874-06-9 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C |
Product Overview
AB01288592-01 (CAS 838874-06-9), with molecular formula C21H26ClFN6O2 and molecular weight 448.18 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01288592-01
Property Insights of AB01288592-01
The XLogP value of 1.412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01288592-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01288592-01. Following Lipinski's Rule of Five, AB01288592-01 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 AB01288592-01?
The CAS number of AB01288592-01 is 838874-06-9.
What is the molecular formula of AB01288592-01?
The molecular formula of AB01288592-01 is C21H26ClFN6O2.
What is the molecular weight of AB01288592-01?
The molecular weight of AB01288592-01 is 448.18 g/mol.
Where can I buy AB01288592-01?
You can request a quote for AB01288592-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01288592-01?
Yes, KEHONG BIO provides custom synthesis services for AB01288592-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.