1-Bromo-4,4-dimethylpentan-2-one
TL;DR: 1-Bromo-4,4-dimethylpentan-2-one (CAS 54410-83-2) is a chemical compound with molecular formula C7H13BrO and molecular weight 192.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4,4-dimethylpentan-2-one
Also Known As: 1-bromo-4,4-dimethylpentan-2-one, 1-bromo-4,4-dimethyl-2-pentanone, 1-bromo-4,4-dimethyl-pentan-2-one, 2-Pentanone, 1-bromo-4,4-dimethyl-, 851-001-5
| Molecular Formula | C7H13BrO |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.01498 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 54410-83-2 |
|---|---|
| SMILES | CC(C)(C)CC(=O)CBr |
| InChIKey | BHNFDOWGCDXOOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4,4-dimethylpentan-2-one (CAS 54410-83-2), with molecular formula C7H13BrO and molecular weight 192.01 g/mol. IUPAC: 1-bromo-4,4-dimethylpentan-2-one.
Chemical Property Profile of 1-Bromo-4,4-dimethylpentan-2-one
Property Insights of 1-Bromo-4,4-dimethylpentan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4,4-dimethylpentan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Bromo-4,4-dimethylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4,4-dimethylpentan-2-one 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 1-Bromo-4,4-dimethylpentan-2-one?
The CAS number of 1-Bromo-4,4-dimethylpentan-2-one is 54410-83-2.
What is the molecular formula of 1-Bromo-4,4-dimethylpentan-2-one?
The molecular formula of 1-Bromo-4,4-dimethylpentan-2-one is C7H13BrO.
What is the molecular weight of 1-Bromo-4,4-dimethylpentan-2-one?
The molecular weight of 1-Bromo-4,4-dimethylpentan-2-one is 192.01 g/mol.
Where can I buy 1-Bromo-4,4-dimethylpentan-2-one?
You can request a quote for 1-Bromo-4,4-dimethylpentan-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-4,4-dimethylpentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4,4-dimethylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.