AAE871
TL;DR: AAE871 (CAS 289479-07-8) is a chemical compound with molecular formula C24H34N8O2S and molecular weight 498.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-aminocyclohexyl)-9-ethyl-6-N-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine
Also Known As: AAE871, 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine, N-(4-aminocyclohexyl)-9-ethyl-N'-[4-(1-piperidylsulfonyl)phenyl]purine-2,6-diamine
| Molecular Formula | C24H34N8O2S |
|---|---|
| Molecular Weight | 498.25 g/mol |
| LogP | 3.4462 |
| Topological Polar Surface Area | 131.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.25253 |
| Heavy Atoms | 35 |
| Complexity | 1260.6661 |
Chemical Identifiers
| CAS Number | 289479-07-8 |
|---|---|
| SMILES | CCN1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5 |
Product Overview
AAE871 (CAS 289479-07-8), with molecular formula C24H34N8O2S and molecular weight 498.25 g/mol. IUPAC: 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine.
Chemical Property Profile of AAE871
Property Insights of AAE871
The XLogP value of 3.4462 indicates that AAE871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AAE871. Following Lipinski's Rule of Five, AAE871 has 3 hydrogen bond donor(s) and 8 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 AAE871?
The CAS number of AAE871 is 289479-07-8.
What is the molecular formula of AAE871?
The molecular formula of AAE871 is C24H34N8O2S.
What is the molecular weight of AAE871?
The molecular weight of AAE871 is 498.25 g/mol.
Where can I buy AAE871?
You can request a quote for AAE871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AAE871?
Yes, KEHONG BIO provides custom synthesis services for AAE871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.