![Bicyclo[3.1.1]heptane, 1-bromo- structure](/static/products/1118/111830-40-1.webp)
Bicyclo[3.1.1]heptane, 1-bromo-
TL;DR: Bicyclo[3.1.1]heptane, 1-bromo- (CAS 111830-40-1) is a chemical compound with molecular formula C7H11Br and molecular weight 174.00441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromobicyclo[3.1.1]heptane
Also Known As: bromonorpinane, Bicyclo[3.1.1]heptane, 1-bromo-, 1-bromobicyclo[3.1.1]heptane, 1-bromobicyclo[3.1.1.]heptane, 5-bromobicyclo[3.1.1]heptane
Technical Specifications
| Molecular Formula | C7H11Br |
| Molecular Weight | 174.00441 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.00441 Da |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
| SMILES | C1CC2CC(C1)(C2)Br |
| InChIKey | NJIWKGLCKKQAJC-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[3.1.1]heptane, 1-bromo-
Property Insights of Bicyclo[3.1.1]heptane, 1-bromo-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.1.1]heptane, 1-bromo-. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo[3.1.1]heptane, 1-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.1]heptane, 1-bromo- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bicyclo[3.1.1]heptane, 1-bromo-?
The CAS number of Bicyclo[3.1.1]heptane, 1-bromo- is 111830-40-1.
What is the molecular formula of Bicyclo[3.1.1]heptane, 1-bromo-?
The molecular formula of Bicyclo[3.1.1]heptane, 1-bromo- is C7H11Br.
What is the molecular weight of Bicyclo[3.1.1]heptane, 1-bromo-?
The molecular weight of Bicyclo[3.1.1]heptane, 1-bromo- is 174.00441 g/mol.
Where can I buy Bicyclo[3.1.1]heptane, 1-bromo-?
You can request a quote for Bicyclo[3.1.1]heptane, 1-bromo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[3.1.1]heptane, 1-bromo-?
Yes, CoreyChem provides custom synthesis services for Bicyclo[3.1.1]heptane, 1-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.