AB00772563-01
TL;DR: AB00772563-01 (CAS 893969-66-9) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
Also Known As: AB00772563-01, F1890-0005, 1-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide, 1-((1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide, 1-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,7-trihydropurin-8-yl }methyl)piperidine-4-carboxamide
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.48772 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1243.4625 |
Chemical Identifiers
| CAS Number | 893969-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC(CC4)C(=O)N |
Product Overview
AB00772563-01 (CAS 893969-66-9), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 1-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide.
Chemical Property Profile of AB00772563-01
Property Insights of AB00772563-01
The XLogP value of 0.48772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772563-01. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772563-01. Following Lipinski's Rule of Five, AB00772563-01 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 AB00772563-01?
The CAS number of AB00772563-01 is 893969-66-9.
What is the molecular formula of AB00772563-01?
The molecular formula of AB00772563-01 is C22H28N6O3.
What is the molecular weight of AB00772563-01?
The molecular weight of AB00772563-01 is 424.22 g/mol.
Where can I buy AB00772563-01?
You can request a quote for AB00772563-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772563-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772563-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.