![1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one structure](/static/products/7089/708990-01-6.webp)
1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
TL;DR: 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 708990-01-6) is a chemical compound with molecular formula C12H22N2O and molecular weight 210.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: 1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 5-butyl-1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one, (1S,5S)-1-BUTYL-5-METHYL-3,7-DIAZABICYCLO[3.3.1]NONAN-9-ONE
| Molecular Formula | C12H22N2O |
|---|---|
| Molecular Weight | 210.17 g/mol |
| LogP | 0.9448 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.17322 |
| Heavy Atoms | 15 |
| Complexity | 252.34773 |
Chemical Identifiers
| CAS Number | 708990-01-6 |
|---|---|
| SMILES | CCCCC12CNCC(C1=O)(CNC2)C |
Product Overview
1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CAS 708990-01-6), with molecular formula C12H22N2O and molecular weight 210.17 g/mol. IUPAC: 1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Property Insights of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
The XLogP value of 0.9448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Butyl-5-methyl-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-Butyl-5-methyl-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-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The CAS number of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 708990-01-6.
What is the molecular formula of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular formula of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one is C12H22N2O.
What is the molecular weight of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The molecular weight of 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one is 210.17 g/mol.
Where can I buy 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
You can request a quote for 1-Butyl-5-methyl-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-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.