AB00772564-01
TL;DR: AB00772564-01 (CAS 893946-18-4) is a chemical compound with molecular formula C22H27ClN6O4 and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: AB00772564-01, AB00772564-02, methyl (8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, methyl 2-(8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, methyl 2-(8-{[4-(5-chloro-2-methylphenyl)piperazinyl]methyl}-1,3-dimethyl-2,6- dioxo-1,3,7-trihydropurin-7-yl)acetate
| Molecular Formula | C22H27ClN6O4 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 0.89072 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.17822 |
| Heavy Atoms | 33 |
| Complexity | 1333.3752 |
Chemical Identifiers
| CAS Number | 893946-18-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(=O)OC)C(=O)N(C(=O)N4C)C |
Product Overview
AB00772564-01 (CAS 893946-18-4), with molecular formula C22H27ClN6O4 and molecular weight 474.18 g/mol. IUPAC: methyl 2-[8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of AB00772564-01
Property Insights of AB00772564-01
The XLogP value of 0.89072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00772564-01. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00772564-01. Following Lipinski's Rule of Five, AB00772564-01 has 0 hydrogen bond donor(s) and 7 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 AB00772564-01?
The CAS number of AB00772564-01 is 893946-18-4.
What is the molecular formula of AB00772564-01?
The molecular formula of AB00772564-01 is C22H27ClN6O4.
What is the molecular weight of AB00772564-01?
The molecular weight of AB00772564-01 is 474.18 g/mol.
Where can I buy AB00772564-01?
You can request a quote for AB00772564-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00772564-01?
Yes, KEHONG BIO provides custom synthesis services for AB00772564-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.