1,8-Diazabicyclo(6.3.1)dodecane
TL;DR: 1,8-Diazabicyclo(6.3.1)dodecane (CAS 100098-22-4) is a chemical compound with molecular formula C10H20N2 and molecular weight 168.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diazabicyclo[6.3.1]dodecane
Also Known As: 1,8-Diazabicyclo[6.3.1]dodecane, 1,8-Diazabicyclo(6.3.1)dodecane, 1,8-Diazabicyclo[6.3.1]dodecane(9CI), RefChem:221768
| Molecular Formula | C10H20N2 |
|---|---|
| Molecular Weight | 168.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.16264 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 100098-22-4 |
|---|---|
| SMILES | C1CCCN2CCCN(C2)CC1 |
| InChIKey | INBYVNOVCKAAGO-UHFFFAOYSA-N |
Product Overview
1,8-Diazabicyclo(6.3.1)dodecane (CAS 100098-22-4), with molecular formula C10H20N2 and molecular weight 168.16 g/mol. IUPAC: 1,8-diazabicyclo[6.3.1]dodecane.
Chemical Property Profile of 1,8-Diazabicyclo(6.3.1)dodecane
Property Insights of 1,8-Diazabicyclo(6.3.1)dodecane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Diazabicyclo(6.3.1)dodecane. With a topological polar surface area (TPSA) of 6.5 Ų, 1,8-Diazabicyclo(6.3.1)dodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diazabicyclo(6.3.1)dodecane 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 1,8-Diazabicyclo(6.3.1)dodecane?
The CAS number of 1,8-Diazabicyclo(6.3.1)dodecane is 100098-22-4.
What is the molecular formula of 1,8-Diazabicyclo(6.3.1)dodecane?
The molecular formula of 1,8-Diazabicyclo(6.3.1)dodecane is C10H20N2.
What is the molecular weight of 1,8-Diazabicyclo(6.3.1)dodecane?
The molecular weight of 1,8-Diazabicyclo(6.3.1)dodecane is 168.16 g/mol.
Where can I buy 1,8-Diazabicyclo(6.3.1)dodecane?
You can request a quote for 1,8-Diazabicyclo(6.3.1)dodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diazabicyclo(6.3.1)dodecane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diazabicyclo(6.3.1)dodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.