5-Bromo-3,3-dimethyl-4-oxopentanoic acid
TL;DR: 5-Bromo-3,3-dimethyl-4-oxopentanoic acid (CAS 32357-60-1) is a chemical compound with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3,3-dimethyl-4-oxopentanoic acid
Also Known As: 5-Bromo-3,3-dimethyl-4-oxopentanoic acid, Levulinic acid, 5-bromo-3,3-dimethyl-, 5-Bromo-3,3-dimethyl-4-oxopentanoic acid #
| Molecular Formula | C7H11BrO3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.98917 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 32357-60-1 |
|---|---|
| SMILES | CC(C)(CC(=O)O)C(=O)CBr |
| InChIKey | GQFWGAMTJBZDQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-3,3-dimethyl-4-oxopentanoic acid (CAS 32357-60-1), with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol. IUPAC: 5-bromo-3,3-dimethyl-4-oxopentanoic acid.
Chemical Property Profile of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid
Property Insights of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3,3-dimethyl-4-oxopentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Bromo-3,3-dimethyl-4-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3,3-dimethyl-4-oxopentanoic acid has 1 hydrogen bond donor(s) and 3 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 5-Bromo-3,3-dimethyl-4-oxopentanoic acid?
The CAS number of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid is 32357-60-1.
What is the molecular formula of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid?
The molecular formula of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid is C7H11BrO3.
What is the molecular weight of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid?
The molecular weight of 5-Bromo-3,3-dimethyl-4-oxopentanoic acid is 221.99 g/mol.
Where can I buy 5-Bromo-3,3-dimethyl-4-oxopentanoic acid?
You can request a quote for 5-Bromo-3,3-dimethyl-4-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3,3-dimethyl-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3,3-dimethyl-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.