AB01301024-01
TL;DR: AB01301024-01 (CAS 879589-83-0) is a chemical compound with molecular formula C21H26Cl2N6O2 and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: AB01301024-01, 8-(4-(2,6-dichlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, F2636-0117, 8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H26Cl2N6O2 |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 2.7083 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.14944 |
| Heavy Atoms | 31 |
| Complexity | 1200.8086 |
Chemical Identifiers
| CAS Number | 879589-83-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC=C4Cl)Cl)N(C(=O)NC2=O)C |
Product Overview
AB01301024-01 (CAS 879589-83-0), with molecular formula C21H26Cl2N6O2 and molecular weight 464.15 g/mol. IUPAC: 8-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of AB01301024-01
Property Insights of AB01301024-01
The XLogP value of 2.7083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301024-01. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301024-01. Following Lipinski's Rule of Five, AB01301024-01 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 AB01301024-01?
The CAS number of AB01301024-01 is 879589-83-0.
What is the molecular formula of AB01301024-01?
The molecular formula of AB01301024-01 is C21H26Cl2N6O2.
What is the molecular weight of AB01301024-01?
The molecular weight of AB01301024-01 is 464.15 g/mol.
Where can I buy AB01301024-01?
You can request a quote for AB01301024-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301024-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301024-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.