AB01289082-01
TL;DR: AB01289082-01 (CAS 895836-29-0) is a chemical compound with molecular formula C20H23ClN6O4 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate
Also Known As: AB01289082-01, F2636-0428, methyl 2-[4-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate, methyl {4-[7-(4-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate, methyl 2-(4-(7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
| Molecular Formula | C20H23ClN6O4 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.14694 |
| Heavy Atoms | 31 |
| Complexity | 1221.4264 |
Chemical Identifiers
| CAS Number | 895836-29-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CC4=CC=C(C=C4)Cl |
Product Overview
AB01289082-01 (CAS 895836-29-0), with molecular formula C20H23ClN6O4 and molecular weight 446.15 g/mol. IUPAC: methyl 2-[4-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate.
Chemical Property Profile of AB01289082-01
Property Insights of AB01289082-01
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01289082-01. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289082-01. Following Lipinski's Rule of Five, AB01289082-01 has 1 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 AB01289082-01?
The CAS number of AB01289082-01 is 895836-29-0.
What is the molecular formula of AB01289082-01?
The molecular formula of AB01289082-01 is C20H23ClN6O4.
What is the molecular weight of AB01289082-01?
The molecular weight of AB01289082-01 is 446.15 g/mol.
Where can I buy AB01289082-01?
You can request a quote for AB01289082-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289082-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289082-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.