5-Oxo-3-phenyl-hexanoic acid
TL;DR: 5-Oxo-3-phenyl-hexanoic acid (CAS 6049-47-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3-phenylhexanoic acid
Also Known As: 5-oxo-3-phenylhexanoic acid, 5-OXO-3-PHENYL-HEXANOIC ACID, 5-keto-3-phenyl-hexanoic acid, Benzenepropanoic acid, beta-(2-oxopropyl)-, RefChem:304540
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.224 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 327.14468 |
Chemical Identifiers
| CAS Number | 6049-47-4 |
|---|---|
| SMILES | CC(=O)CC(CC(=O)O)C1=CC=CC=C1 |
Product Overview
5-Oxo-3-phenyl-hexanoic acid (CAS 6049-47-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 5-oxo-3-phenylhexanoic acid.
Chemical Property Profile of 5-Oxo-3-phenyl-hexanoic acid
Property Insights of 5-Oxo-3-phenyl-hexanoic acid
The XLogP value of 2.224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-3-phenyl-hexanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Oxo-3-phenyl-hexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-3-phenyl-hexanoic acid has 1 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 5-Oxo-3-phenyl-hexanoic acid?
The CAS number of 5-Oxo-3-phenyl-hexanoic acid is 6049-47-4.
What is the molecular formula of 5-Oxo-3-phenyl-hexanoic acid?
The molecular formula of 5-Oxo-3-phenyl-hexanoic acid is C12H14O3.
What is the molecular weight of 5-Oxo-3-phenyl-hexanoic acid?
The molecular weight of 5-Oxo-3-phenyl-hexanoic acid is 206.09 g/mol.
Where can I buy 5-Oxo-3-phenyl-hexanoic acid?
You can request a quote for 5-Oxo-3-phenyl-hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-3-phenyl-hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-3-phenyl-hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.