AB00772459-01
TL;DR: AB00772459-01 (CAS 893946-41-3) is a chemical compound with molecular formula C22H29ClN6O3 and molecular weight 460.20 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]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: AB00772459-01, AB00772459-02, 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H29ClN6O3 |
|---|---|
| Molecular Weight | 460.20 g/mol |
| LogP | 1.10012 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.19897 |
| Heavy Atoms | 32 |
| Complexity | 1253.2554 |
Chemical Identifiers
| CAS Number | 893946-41-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCCO)C(=O)N(C(=O)N4C)C |
Product Overview
AB00772459-01 (CAS 893946-41-3), with molecular formula C22H29ClN6O3 and molecular weight 460.20 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00772459-01
Property Insights of AB00772459-01
The XLogP value of 1.10012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772459-01. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772459-01. Following Lipinski's Rule of Five, AB00772459-01 has 1 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 AB00772459-01?
The CAS number of AB00772459-01 is 893946-41-3.
What is the molecular formula of AB00772459-01?
The molecular formula of AB00772459-01 is C22H29ClN6O3.
What is the molecular weight of AB00772459-01?
The molecular weight of AB00772459-01 is 460.20 g/mol.
Where can I buy AB00772459-01?
You can request a quote for AB00772459-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772459-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772459-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.