AE-641/10754036
TL;DR: AE-641/10754036 (CAS 369603-19-0) is a chemical compound with molecular formula C21H18Cl3N5O2 and molecular weight 477.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: AE-641/10754036, 8-[(2-chlorobenzyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((2-chlorobenzyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione, 8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C21H18Cl3N5O2 |
|---|---|
| Molecular Weight | 477.05 g/mol |
| LogP | 4.0543 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.0526 |
| Heavy Atoms | 31 |
| Complexity | 1421.2858 |
Chemical Identifiers
| CAS Number | 369603-19-0 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
AE-641/10754036 (CAS 369603-19-0), with molecular formula C21H18Cl3N5O2 and molecular weight 477.05 g/mol. IUPAC: 8-[(2-chlorophenyl)methylamino]-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AE-641/10754036
Property Insights of AE-641/10754036
The XLogP value of 4.0543 indicates that AE-641/10754036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/10754036. Following Lipinski's Rule of Five, AE-641/10754036 has 1 hydrogen bond donor(s) and 4 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 AE-641/10754036?
The CAS number of AE-641/10754036 is 369603-19-0.
What is the molecular formula of AE-641/10754036?
The molecular formula of AE-641/10754036 is C21H18Cl3N5O2.
What is the molecular weight of AE-641/10754036?
The molecular weight of AE-641/10754036 is 477.05 g/mol.
Where can I buy AE-641/10754036?
You can request a quote for AE-641/10754036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/10754036?
Yes, KEHONG BIO provides custom synthesis services for AE-641/10754036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.