4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid
TL;DR: 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid (CAS 765269-95-2) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
Also Known As: Maybridge1_003164, 4-(2,3,4,5,6-PENTAMETHYLPHENYL)-4-OXOBUTYRIC ACID, 4- -4-OXOBUTYRICACID, 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid, 4-Oxo-4-(pentamethylphenyl)butanoic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.2762 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 483.95538 |
Chemical Identifiers
| CAS Number | 765269-95-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)CCC(=O)O)C)C |
Product Overview
4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid (CAS 765269-95-2), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid.
Chemical Property Profile of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid
Property Insights of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid
The XLogP value of 3.2762 indicates that 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric 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 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid?
The CAS number of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid is 765269-95-2.
What is the molecular formula of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid?
The molecular formula of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid is C15H20O3.
What is the molecular weight of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid?
The molecular weight of 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid is 248.14 g/mol.
Where can I buy 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid?
You can request a quote for 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3,4,5,6-Pentamethylphenyl)-4-oxobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.