AB00767873-01
TL;DR: AB00767873-01 (CAS 893946-49-1) is a chemical compound with molecular formula C22H27ClN6O3 and molecular weight 458.18 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-(2-oxopropyl)purine-2,6-dione
Also Known As: AB00767873-01, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H27ClN6O3 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 1.30672 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.18332 |
| Heavy Atoms | 32 |
| Complexity | 1313.9181 |
Chemical Identifiers
| CAS Number | 893946-49-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(=O)C)C(=O)N(C(=O)N4C)C |
Product Overview
AB00767873-01 (CAS 893946-49-1), with molecular formula C22H27ClN6O3 and molecular weight 458.18 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of AB00767873-01
Property Insights of AB00767873-01
The XLogP value of 1.30672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00767873-01. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00767873-01. Following Lipinski's Rule of Five, AB00767873-01 has 0 hydrogen bond donor(s) and 6 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 AB00767873-01?
The CAS number of AB00767873-01 is 893946-49-1.
What is the molecular formula of AB00767873-01?
The molecular formula of AB00767873-01 is C22H27ClN6O3.
What is the molecular weight of AB00767873-01?
The molecular weight of AB00767873-01 is 458.18 g/mol.
Where can I buy AB00767873-01?
You can request a quote for AB00767873-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00767873-01?
Yes, KEHONG BIO provides custom synthesis services for AB00767873-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.