AE-641/11517332
TL;DR: AE-641/11517332 (CAS 368839-89-8) is a chemical compound with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
Also Known As: AE-641/11517332, 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione, 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(4-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H23Cl2N5O2 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 3.0251 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.1229 |
| Heavy Atoms | 29 |
| Complexity | 1202.2727 |
Chemical Identifiers
| CAS Number | 368839-89-8 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl |
Product Overview
AE-641/11517332 (CAS 368839-89-8), with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione.
Chemical Property Profile of AE-641/11517332
Property Insights of AE-641/11517332
The XLogP value of 3.0251 indicates that AE-641/11517332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/11517332. Following Lipinski's Rule of Five, AE-641/11517332 has 0 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-641/11517332?
The CAS number of AE-641/11517332 is 368839-89-8.
What is the molecular formula of AE-641/11517332?
The molecular formula of AE-641/11517332 is C20H23Cl2N5O2.
What is the molecular weight of AE-641/11517332?
The molecular weight of AE-641/11517332 is 435.12 g/mol.
Where can I buy AE-641/11517332?
You can request a quote for AE-641/11517332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11517332?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11517332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.