Bromopinacolone
TL;DR: Bromopinacolone (CAS 5469-26-1) is a chemical compound with molecular formula C6H11BrO and molecular weight 178.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,3-dimethylbutan-2-one
Also Known As: 1-Bromopinacolone, Bromopinacolone, 1-Bromopinacolin, 1-Bromo-3,3-dimethylbutan-2-one, Bromopinacolin
| Molecular Formula | C6H11BrO |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.99933 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 5469-26-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)CBr |
| InChIKey | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromopinacolone (CAS 5469-26-1), with molecular formula C6H11BrO and molecular weight 178.00 g/mol. IUPAC: 1-bromo-3,3-dimethylbutan-2-one.
Chemical Property Profile of Bromopinacolone
Property Insights of Bromopinacolone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromopinacolone. With a topological polar surface area (TPSA) of 17.1 Ų, Bromopinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromopinacolone 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 Bromopinacolone?
The CAS number of Bromopinacolone is 5469-26-1.
What is the molecular formula of Bromopinacolone?
The molecular formula of Bromopinacolone is C6H11BrO.
What is the molecular weight of Bromopinacolone?
The molecular weight of Bromopinacolone is 178.00 g/mol.
Where can I buy Bromopinacolone?
You can request a quote for Bromopinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromopinacolone?
Yes, KEHONG BIO provides custom synthesis services for Bromopinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.