9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
TL;DR: 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- (CAS 56258-86-7) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
Also Known As: 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-, 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one, 9-Azabicyclo[3.3.1]nonan-3-one, 9-tert-butyl-, 9-Azabicyclo[3.3.1]nonan-3-one, 9-(1,1-dimethylethyl)-
| Molecular Formula | C12H21NO |
|---|---|
| Molecular Weight | 195.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.16231 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 56258-86-7 |
|---|---|
| SMILES | CC(C)(C)N1C2CCCC1CC(=O)C2 |
| InChIKey | UGFANJRQMBRULK-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- (CAS 56258-86-7), with molecular formula C12H21NO and molecular weight 195.16 g/mol. IUPAC: 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
Property Insights of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-. With a topological polar surface area (TPSA) of 20.3 Ų, 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- has 0 hydrogen bond donor(s) and 2 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 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-?
The CAS number of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- is 56258-86-7.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-?
The molecular formula of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- is C12H21NO.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-?
The molecular weight of 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- is 195.16 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-?
You can request a quote for 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.