AE-406/41056817
TL;DR: AE-406/41056817 (CAS 485319-25-3) is a chemical compound with molecular formula C14H21N3O2 and molecular weight 263.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-oxo-5,9-diaza-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),2-dien-2-olate
Also Known As: AE-406/41056817, J2.098.424D, 5-(tert-butyl)-4-oxo-2,3,4,7,8,9-hexahydro-1H-3a,6a,9a-triazaphenalen-9a-ium-6-olate, 2-tert-butyl-1-oxo-5,6,8,9-tetrahydro-1H,4H,7H-6a,9a-diaza-3a-azoniaphenalen-3-olate, 2-tert-Butyl-3-oxo-5,6,8,9-tetrahydro-4H,7H-3a,6a-diaza-9a-azonia-3H-phenalene-1-olate
| Molecular Formula | C14H21N3O2 |
|---|---|
| Molecular Weight | 263.16 g/mol |
| LogP | 0.1207 |
| Topological Polar Surface Area | 52.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.1634 |
| Heavy Atoms | 19 |
| Complexity | 581.8246 |
Chemical Identifiers
| CAS Number | 485319-25-3 |
|---|---|
| SMILES | CC(C)(C)C1=C([N+]2=C3N(CCCN3C1=O)CCC2)[O-] |
Product Overview
AE-406/41056817 (CAS 485319-25-3), with molecular formula C14H21N3O2 and molecular weight 263.16 g/mol. IUPAC: 3-tert-butyl-4-oxo-5,9-diaza-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),2-dien-2-olate.
Chemical Property Profile of AE-406/41056817
Property Insights of AE-406/41056817
The XLogP value of 0.1207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-406/41056817. With a topological polar surface area (TPSA) of 52.18 Ų, AE-406/41056817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-406/41056817 has 0 hydrogen bond donor(s) and 3 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-406/41056817?
The CAS number of AE-406/41056817 is 485319-25-3.
What is the molecular formula of AE-406/41056817?
The molecular formula of AE-406/41056817 is C14H21N3O2.
What is the molecular weight of AE-406/41056817?
The molecular weight of AE-406/41056817 is 263.16 g/mol.
Where can I buy AE-406/41056817?
You can request a quote for AE-406/41056817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-406/41056817?
Yes, KEHONG BIO provides custom synthesis services for AE-406/41056817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.