3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane
TL;DR: 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane (CAS 2292-12-8) is a chemical compound with molecular formula CN1C2CCC1CC(C2)Cl and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
Also Known As: 3-chlorotropane, 3-Chloro-8-methyl-8-azabicyclo[3.2.1]octane, 8-Azabicyclo octane,3-chloro-8-methyl-,exo-, 8-Azabicyclo[3.2.1]octane, 3-chloro-8-methyl-, 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane
| Molecular Formula | CN1C2CCC1CC(C2)Cl |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08148 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2292-12-8 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)Cl |
| InChIKey | WXRBWXUZUHYHQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane (CAS 2292-12-8), with molecular formula CN1C2CCC1CC(C2)Cl and molecular weight 159.08 g/mol. IUPAC: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane.
Chemical Property Profile of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane
Property Insights of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane has 0 hydrogen bond donor(s) and 1 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-Chloro-8-methyl-8-azabicyclo(3.2.1)octane?
The CAS number of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane is 2292-12-8.
What is the molecular formula of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane?
The molecular formula of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane is CN1C2CCC1CC(C2)Cl.
What is the molecular weight of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane?
The molecular weight of 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane is 159.08 g/mol.
Where can I buy 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane?
You can request a quote for 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-8-methyl-8-azabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.