AB01296024-01
TL;DR: AB01296024-01 (CAS 847407-76-5) is a chemical compound with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: AB01296024-01, 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, C692-0150, F0669-0158, 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
| Molecular Formula | C21H27ClN6O2 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 2.0549 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.18842 |
| Heavy Atoms | 30 |
| Complexity | 1170.4338 |
Chemical Identifiers
| CAS Number | 847407-76-5 |
|---|---|
| SMILES | CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
AB01296024-01 (CAS 847407-76-5), with molecular formula C21H27ClN6O2 and molecular weight 430.19 g/mol. IUPAC: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of AB01296024-01
Property Insights of AB01296024-01
The XLogP value of 2.0549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01296024-01. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01296024-01. Following Lipinski's Rule of Five, AB01296024-01 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 AB01296024-01?
The CAS number of AB01296024-01 is 847407-76-5.
What is the molecular formula of AB01296024-01?
The molecular formula of AB01296024-01 is C21H27ClN6O2.
What is the molecular weight of AB01296024-01?
The molecular weight of AB01296024-01 is 430.19 g/mol.
Where can I buy AB01296024-01?
You can request a quote for AB01296024-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01296024-01?
Yes, KEHONG BIO provides custom synthesis services for AB01296024-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.