![3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane structure](/static/products/5832/58324-97-3.webp)
3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
TL;DR: 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane (CAS 58324-97-3) is a chemical compound with molecular formula C18H28N2 and molecular weight 272.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: N-Benzyl-N'-n-butylbispidin, 3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane, 3,7-Diazabicyclo[3.3.1]nonane, 3-butyl-7-(phenylmethyl)-
| Molecular Formula | C18H28N2 |
|---|---|
| Molecular Weight | 272.23 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.22525 |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 58324-97-3 |
|---|---|
| SMILES | CCCCN1CC2CC(C1)CN(C2)CC3=CC=CC=C3 |
| InChIKey | SKHHNQCBQCNOEG-UHFFFAOYSA-N |
Product Overview
3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane (CAS 58324-97-3), with molecular formula C18H28N2 and molecular weight 272.23 g/mol. IUPAC: 3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
Property Insights of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
The XLogP value of 3.5 indicates that 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane 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 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane?
The CAS number of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane is 58324-97-3.
What is the molecular formula of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane?
The molecular formula of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane is C18H28N2.
What is the molecular weight of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane?
The molecular weight of 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane is 272.23 g/mol.
Where can I buy 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane?
You can request a quote for 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.