1,5-Diazabicyclo(3.3.1)nonane
TL;DR: 1,5-Diazabicyclo(3.3.1)nonane (CAS 281-17-4) is a chemical compound with molecular formula C1CN2CCCN(C1)C2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diazabicyclo[3.3.1]nonane
Also Known As: 1,5-Diazabicyclo[3.3.1]nonane, 1,5-Diazabicyclo(3.3.1)nonane, (1s,5s)-1,5-diazabicyclo[3.3.1]nonane, J1.684.434I, (1beta,5beta)-1,5-Diazabicyclo[3.3.1]nonane,
| Molecular Formula | C1CN2CCCN(C1)C2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 281-17-4 |
|---|---|
| SMILES | C1CN2CCCN(C1)C2 |
| InChIKey | HYTQTNKKOHXGKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Diazabicyclo(3.3.1)nonane (CAS 281-17-4), with molecular formula C1CN2CCCN(C1)C2 and molecular weight 126.12 g/mol. IUPAC: 1,5-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 1,5-Diazabicyclo(3.3.1)nonane
Property Insights of 1,5-Diazabicyclo(3.3.1)nonane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diazabicyclo(3.3.1)nonane. With a topological polar surface area (TPSA) of 6.5 Ų, 1,5-Diazabicyclo(3.3.1)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-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 1,5-Diazabicyclo(3.3.1)nonane?
The CAS number of 1,5-Diazabicyclo(3.3.1)nonane is 281-17-4.
What is the molecular formula of 1,5-Diazabicyclo(3.3.1)nonane?
The molecular formula of 1,5-Diazabicyclo(3.3.1)nonane is C1CN2CCCN(C1)C2.
What is the molecular weight of 1,5-Diazabicyclo(3.3.1)nonane?
The molecular weight of 1,5-Diazabicyclo(3.3.1)nonane is 126.12 g/mol.
Where can I buy 1,5-Diazabicyclo(3.3.1)nonane?
You can request a quote for 1,5-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 1,5-Diazabicyclo(3.3.1)nonane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diazabicyclo(3.3.1)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.