3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride
TL;DR: 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride (CAS 3431-07-0) is a chemical compound with molecular formula C8H18Cl2N2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
Also Known As: 9-methyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride, 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride, 9-Methyl-3,9-diazabicyclo(3.3.1)nonane dihydrochloride, 3,9-DIAZABICYCLO(3.3.1)NONANE, 9-METHYL-, DIHYDROCHLORIDE, 9-methyl-3,9-diazabicyclo[3.3.1]nonane diHCl
| Molecular Formula | C8H18Cl2N2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.0847 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 3431-07-0 |
|---|---|
| SMILES | CN1C2CCCC1CNC2.Cl.Cl |
| InChIKey | KJLUHXBQTQMMOX-UHFFFAOYSA-N |
Product Overview
3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride (CAS 3431-07-0), with molecular formula C8H18Cl2N2 and molecular weight 212.08 g/mol. IUPAC: 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride.
Chemical Property Profile of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride
Property Insights of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride. With a topological polar surface area (TPSA) of 15.3 Ų, 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride has 3 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 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride?
The CAS number of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride is 3431-07-0.
What is the molecular formula of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride?
The molecular formula of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride is C8H18Cl2N2.
What is the molecular weight of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride?
The molecular weight of 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride is 212.08 g/mol.
Where can I buy 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride?
You can request a quote for 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.