3-(2,5-Dimethylphenoxy)propanoic acid
TL;DR: 3-(2,5-Dimethylphenoxy)propanoic acid (CAS 46734-05-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylphenoxy)propanoic acid
Also Known As: 3-(2,5-Dimethyl-phenoxy)-propionic acid, Fluspirilene, 3-(2,5-dimethylphenoxy)propanoic acid, 3- -PROPIONICACID, 3-(2,5-dimethylphenoxy)propanoicacid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 46734-05-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCCC(=O)O |
| InChIKey | KDGFRUATQLBSHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,5-Dimethylphenoxy)propanoic acid (CAS 46734-05-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-(2,5-dimethylphenoxy)propanoic acid.
Chemical Property Profile of 3-(2,5-Dimethylphenoxy)propanoic acid
Property Insights of 3-(2,5-Dimethylphenoxy)propanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dimethylphenoxy)propanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2,5-Dimethylphenoxy)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-Dimethylphenoxy)propanoic 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 3-(2,5-Dimethylphenoxy)propanoic acid?
The CAS number of 3-(2,5-Dimethylphenoxy)propanoic acid is 46734-05-8.
What is the molecular formula of 3-(2,5-Dimethylphenoxy)propanoic acid?
The molecular formula of 3-(2,5-Dimethylphenoxy)propanoic acid is C11H14O3.
What is the molecular weight of 3-(2,5-Dimethylphenoxy)propanoic acid?
The molecular weight of 3-(2,5-Dimethylphenoxy)propanoic acid is 194.09 g/mol.
Where can I buy 3-(2,5-Dimethylphenoxy)propanoic acid?
You can request a quote for 3-(2,5-Dimethylphenoxy)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dimethylphenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethylphenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.