AE-641/11516906
TL;DR: AE-641/11516906 (CAS 368838-10-2) is a chemical compound with molecular formula C19H17Cl2N5O3 and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: AE-641/11516906, 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione, 1-(3,4-dichlorobenzyl)-8-((furan-2-ylmethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-(3,4-dichlorobenzyl)-8-[(furan-2-ylmethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H17Cl2N5O3 |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.07083 |
| Heavy Atoms | 29 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 368838-10-2 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C |
| InChIKey | PVKGBLZKQPRTLM-UHFFFAOYSA-N |
Product Overview
AE-641/11516906 (CAS 368838-10-2), with molecular formula C19H17Cl2N5O3 and molecular weight 433.07 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AE-641/11516906
Property Insights of AE-641/11516906
The XLogP value of 3.2 indicates that AE-641/11516906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/11516906. Following Lipinski's Rule of Five, AE-641/11516906 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 AE-641/11516906?
The CAS number of AE-641/11516906 is 368838-10-2.
What is the molecular formula of AE-641/11516906?
The molecular formula of AE-641/11516906 is C19H17Cl2N5O3.
What is the molecular weight of AE-641/11516906?
The molecular weight of AE-641/11516906 is 433.07 g/mol.
Where can I buy AE-641/11516906?
You can request a quote for AE-641/11516906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11516906?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11516906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.