![1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one structure](/static/products/888/88888-28-2.png)
1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one
TL;DR: 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one (CAS 88888-28-2) is a chemical compound with molecular formula C9H13BrO2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-methoxybicyclo[2.2.2]octan-2-one
Also Known As: 1-bromo-4-methoxybicyclo[2.2.2]octan-2-one, Bicyclo[2.2.2]octanone, 1-bromo-4-methoxy-, 4-bromo-1-methoxybicyclo[2.2.2]octan-3-one, bicyclo[2.2.2]octan-2-one, 1-bromo-4-methoxy-, InChI=1/C9H13BrO2/c1-12-8-2-4-9(10,5-3-8)7(11)6-8/h2-6H2,1H
| Molecular Formula | C9H13BrO2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.00989 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 88888-28-2 |
|---|---|
| SMILES | COC12CCC(CC1)(C(=O)C2)Br |
| InChIKey | QSSKRBOYHJJXKZ-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one (CAS 88888-28-2), with molecular formula C9H13BrO2 and molecular weight 232.01 g/mol. IUPAC: 1-bromo-4-methoxybicyclo[2.2.2]octan-2-one.
Chemical Property Profile of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one
Property Insights of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-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 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one?
The CAS number of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one is 88888-28-2.
What is the molecular formula of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one?
The molecular formula of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one is C9H13BrO2.
What is the molecular weight of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one?
The molecular weight of 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one is 232.01 g/mol.
Where can I buy 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one?
You can request a quote for 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-methoxybicyclo[2.2.2]octan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.