![5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile structure](/static/products/839/839684-75-2.png)
5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
TL;DR: 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 839684-75-2) is a chemical compound with molecular formula C18H17N5O and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Also Known As: 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, 5-Amino-4,8-dimethyl-7-oxo-3-phenyl-6-aza-bicyclo[3.2.1]octane-1,2,2-tricarbonitrile
| Molecular Formula | C18H17N5O |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 1.38434 |
| Topological Polar Surface Area | 126.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.1433 |
| Heavy Atoms | 24 |
| Complexity | 815.69556 |
Chemical Identifiers
| CAS Number | 839684-75-2 |
|---|---|
| SMILES | CC1C(C(C2(C(C1(NC2=O)N)C)C#N)(C#N)C#N)C3=CC=CC=C3 |
Product Overview
5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 839684-75-2), with molecular formula C18H17N5O and molecular weight 319.14 g/mol. IUPAC: 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile.
Chemical Property Profile of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Property Insights of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
The XLogP value of 1.38434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. The TPSA of 126.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. Following Lipinski's Rule of Five, 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile has 2 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 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The CAS number of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 839684-75-2.
What is the molecular formula of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular formula of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is C18H17N5O.
What is the molecular weight of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular weight of 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 319.14 g/mol.
Where can I buy 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
You can request a quote for 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.