![1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one structure](/static/products/664/664971-63-5.png)
1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
TL;DR: 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 664971-63-5) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: ChemDiv3_005367, 1-methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one, IDI1_023277, AJ-292/41812410, A3416/0144931
| Molecular Formula | C11H20N2O |
|---|---|
| Molecular Weight | 196.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.15756 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 664971-63-5 |
|---|---|
| SMILES | CCCC12CNCC(C1=O)(CNC2)C |
| InChIKey | KMXYPTALDKGFEA-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 664971-63-5), with molecular formula C11H20N2O and molecular weight 196.16 g/mol. IUPAC: 1-methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Property Insights of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one has 2 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 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The CAS number of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 664971-63-5.
What is the molecular formula of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular formula of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one is C11H20N2O.
What is the molecular weight of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular weight of 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 196.16 g/mol.
Where can I buy 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
You can request a quote for 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.