5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid
TL;DR: 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid (CAS 100972-49-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid
Also Known As: 5-methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid, 5-methoxy-4,4-dimethyl-5-oxo-3-phenyl-pentanoic Acid, 5-methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid (en)Glut
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.4441 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 422.67996 |
Chemical Identifiers
| CAS Number | 100972-49-4 |
|---|---|
| SMILES | CC(C)(C(CC(=O)O)C1=CC=CC=C1)C(=O)OC |
Product Overview
5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid (CAS 100972-49-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 5-methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid.
Chemical Property Profile of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid
Property Insights of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid
The XLogP value of 2.4441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid. Following Lipinski's Rule of Five, 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic 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-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid?
The CAS number of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid is 100972-49-4.
What is the molecular formula of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid?
The molecular formula of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid is C14H18O4.
What is the molecular weight of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid?
The molecular weight of 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid is 250.12 g/mol.
Where can I buy 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid?
You can request a quote for 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-4,4-dimethyl-5-oxo-3-phenylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.