AB00768984-01
TL;DR: AB00768984-01 (CAS 893945-96-5) is a chemical compound with molecular formula C24H33ClN6O2 and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: AB00768984-01, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C24H33ClN6O2 |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 2.76382 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.23535 |
| Heavy Atoms | 33 |
| Complexity | 1280.8171 |
Chemical Identifiers
| CAS Number | 893945-96-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCC(C)C)C(=O)N(C(=O)N4C)C |
Product Overview
AB00768984-01 (CAS 893945-96-5), with molecular formula C24H33ClN6O2 and molecular weight 472.24 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of AB00768984-01
Property Insights of AB00768984-01
The XLogP value of 2.76382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00768984-01. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00768984-01. Following Lipinski's Rule of Five, AB00768984-01 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 AB00768984-01?
The CAS number of AB00768984-01 is 893945-96-5.
What is the molecular formula of AB00768984-01?
The molecular formula of AB00768984-01 is C24H33ClN6O2.
What is the molecular weight of AB00768984-01?
The molecular weight of AB00768984-01 is 472.24 g/mol.
Where can I buy AB00768984-01?
You can request a quote for AB00768984-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00768984-01?
Yes, KEHONG BIO provides custom synthesis services for AB00768984-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.