![4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one structure](/static/products/791/791531-41-4.png)
4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one
TL;DR: 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CAS 791531-41-4) is a chemical compound with molecular formula C8H12BrNO and molecular weight 217.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Also Known As: 4-bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one, 8-Azabicyclo[3.2.1]octan-3-one, hydrobromide, 2-BROMO-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE, 8-Azabicyclo[3.2.1]octan-3-one, 2-bromo-8-methyl- (9CI)
| Molecular Formula | C8H12BrNO |
|---|---|
| Molecular Weight | 217.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.01022 |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 791531-41-4 |
|---|---|
| SMILES | CN1C2CCC1C(C(=O)C2)Br |
| InChIKey | VHNXFKTYNFJDKY-UHFFFAOYSA-N |
Product Overview
4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CAS 791531-41-4), with molecular formula C8H12BrNO and molecular weight 217.01 g/mol. IUPAC: 2-bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
Chemical Property Profile of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Property Insights of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one. With a topological polar surface area (TPSA) of 20.3 Ų, 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one 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 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The CAS number of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one is 791531-41-4.
What is the molecular formula of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The molecular formula of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one is C8H12BrNO.
What is the molecular weight of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The molecular weight of 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one is 217.01 g/mol.
Where can I buy 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
You can request a quote for 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-8-methyl-8-azabicyclo[3.2.1]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.