F2636-0458
TL;DR: F2636-0458 (CAS 895824-39-2) is a chemical compound with molecular formula C20H22Cl2N6O4 and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate
Also Known As: F2636-0458, methyl {4-[7-(2,4-dichlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate, methyl 2-(4-(7-(2,4-dichlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate, methyl 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate, methyl {4-[7-(2,4-dichlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazin-1-yl}acetate
| Molecular Formula | C20H22Cl2N6O4 |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 1.0734 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.10797 |
| Heavy Atoms | 32 |
| Complexity | 1289.7076 |
Chemical Identifiers
| CAS Number | 895824-39-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
F2636-0458 (CAS 895824-39-2), with molecular formula C20H22Cl2N6O4 and molecular weight 480.11 g/mol. IUPAC: methyl 2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate.
Chemical Property Profile of F2636-0458
Property Insights of F2636-0458
The XLogP value of 1.0734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2636-0458. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for F2636-0458. Following Lipinski's Rule of Five, F2636-0458 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 F2636-0458?
The CAS number of F2636-0458 is 895824-39-2.
What is the molecular formula of F2636-0458?
The molecular formula of F2636-0458 is C20H22Cl2N6O4.
What is the molecular weight of F2636-0458?
The molecular weight of F2636-0458 is 480.11 g/mol.
Where can I buy F2636-0458?
You can request a quote for F2636-0458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2636-0458?
Yes, KEHONG BIO provides custom synthesis services for F2636-0458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.