AI-559/14805008
TL;DR: AI-559/14805008 (CAS 908-30-5) is a chemical compound with molecular formula C22H36N2O2 and molecular weight 360.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: AI-559/14805008, 3-({6-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexyl}amino)-5,5-dimethyl-2-cyclohexen-1-one, 3-[6-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexylamino]-5, 3-[6-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexylamino]-5,5-dimethylcyclohex-2-en-1-one, 3,3'-[Hexane-1,6-diylbis(azanediyl)]bis(5,5-dimethylcyclohex-2-en-1-one)
| Molecular Formula | C22H36N2O2 |
|---|---|
| Molecular Weight | 360.28 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.27768 |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 908-30-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCCCCCNC2=CC(=O)CC(C2)(C)C)C |
| InChIKey | FAJSGKQPSNYQHN-UHFFFAOYSA-N |
Product Overview
AI-559/14805008 (CAS 908-30-5), with molecular formula C22H36N2O2 and molecular weight 360.28 g/mol. IUPAC: 3-[6-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of AI-559/14805008
Property Insights of AI-559/14805008
The XLogP value of 4.1 indicates that AI-559/14805008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, AI-559/14805008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI-559/14805008 has 2 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 AI-559/14805008?
The CAS number of AI-559/14805008 is 908-30-5.
What is the molecular formula of AI-559/14805008?
The molecular formula of AI-559/14805008 is C22H36N2O2.
What is the molecular weight of AI-559/14805008?
The molecular weight of AI-559/14805008 is 360.28 g/mol.
Where can I buy AI-559/14805008?
You can request a quote for AI-559/14805008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-559/14805008?
Yes, KEHONG BIO provides custom synthesis services for AI-559/14805008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.