5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
TL;DR: 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid (CAS 500892-07-9) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
Also Known As: 5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid, 5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID, J2.148.392C, 5-(2,4,6-Trimethylphenyl)-5-oxypentanoic acid, 5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERICACID
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 500892-07-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CCCC(=O)O)C |
| InChIKey | ZEMMDCNECWHBGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid (CAS 500892-07-9), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid.
Chemical Property Profile of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
Property Insights of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic 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-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid?
The CAS number of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid is 500892-07-9.
What is the molecular formula of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid?
The molecular formula of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid is C14H18O3.
What is the molecular weight of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid?
The molecular weight of 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid is 234.13 g/mol.
Where can I buy 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid?
You can request a quote for 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic 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-5-(2,4,6-trimethylphenyl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-5-(2,4,6-trimethylphenyl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.