3-(2,4,5-trimethylphenyl)butanoic Acid
TL;DR: 3-(2,4,5-trimethylphenyl)butanoic Acid (CAS 883791-79-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,5-trimethylphenyl)butanoic acid
Also Known As: 3-(2,4,5-trimethylphenyl)butanoic Acid, 3-(2,4,5-TRIMETHYL-PHENYL)-BUTYRIC ACID
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.19006 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 380.3675 |
Chemical Identifiers
| CAS Number | 883791-79-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C(C)CC(=O)O)C |
Product Overview
3-(2,4,5-trimethylphenyl)butanoic Acid (CAS 883791-79-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-(2,4,5-trimethylphenyl)butanoic acid.
Chemical Property Profile of 3-(2,4,5-trimethylphenyl)butanoic Acid
Property Insights of 3-(2,4,5-trimethylphenyl)butanoic Acid
The XLogP value of 3.19006 indicates that 3-(2,4,5-trimethylphenyl)butanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,4,5-trimethylphenyl)butanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4,5-trimethylphenyl)butanoic Acid has 1 hydrogen bond donor(s) and 1 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 3-(2,4,5-trimethylphenyl)butanoic Acid?
The CAS number of 3-(2,4,5-trimethylphenyl)butanoic Acid is 883791-79-5.
What is the molecular formula of 3-(2,4,5-trimethylphenyl)butanoic Acid?
The molecular formula of 3-(2,4,5-trimethylphenyl)butanoic Acid is C13H18O2.
What is the molecular weight of 3-(2,4,5-trimethylphenyl)butanoic Acid?
The molecular weight of 3-(2,4,5-trimethylphenyl)butanoic Acid is 206.13 g/mol.
Where can I buy 3-(2,4,5-trimethylphenyl)butanoic Acid?
You can request a quote for 3-(2,4,5-trimethylphenyl)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,5-trimethylphenyl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,5-trimethylphenyl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.