5-Bromo-4-oxo-2-phenylhexanoic acid
TL;DR: 5-Bromo-4-oxo-2-phenylhexanoic acid (CAS 85709-86-0) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-oxo-2-phenylhexanoic acid
Also Known As: 5-Boph, 5-Bromo-4-oxo-2-phenylhexanoic acid, 5-Bromo-4-oxo-2-phenylhexanoicacid, Benzeneacetic acid, alpha-(3-bromo-2-oxobutyl)-, Benzeneacetic acid, a-(3-bromo-2-oxobutyl)-
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 85709-86-0 |
|---|---|
| SMILES | CC(C(=O)CC(C1=CC=CC=C1)C(=O)O)Br |
| InChIKey | DNDCKTJRGLMEAR-UHFFFAOYSA-N |
Product Overview
5-Bromo-4-oxo-2-phenylhexanoic acid (CAS 85709-86-0), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: 5-bromo-4-oxo-2-phenylhexanoic acid.
Chemical Property Profile of 5-Bromo-4-oxo-2-phenylhexanoic acid
Property Insights of 5-Bromo-4-oxo-2-phenylhexanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-oxo-2-phenylhexanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Bromo-4-oxo-2-phenylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-oxo-2-phenylhexanoic 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-4-oxo-2-phenylhexanoic acid?
The CAS number of 5-Bromo-4-oxo-2-phenylhexanoic acid is 85709-86-0.
What is the molecular formula of 5-Bromo-4-oxo-2-phenylhexanoic acid?
The molecular formula of 5-Bromo-4-oxo-2-phenylhexanoic acid is C12H13BrO3.
What is the molecular weight of 5-Bromo-4-oxo-2-phenylhexanoic acid?
The molecular weight of 5-Bromo-4-oxo-2-phenylhexanoic acid is 284.00 g/mol.
Where can I buy 5-Bromo-4-oxo-2-phenylhexanoic acid?
You can request a quote for 5-Bromo-4-oxo-2-phenylhexanoic 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-4-oxo-2-phenylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-oxo-2-phenylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.