3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid
TL;DR: 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid (CAS 13330-31-9) is a chemical compound with molecular formula C10H10Cl2O3 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenoxy)-2-methylpropanoic acid
Also Known As: 2,4-Dichlorphenoxy-isobuttersaeure, 2,4-Dichlorphenoxy-isobuttersaeure [German], 3-(2,4-Dichlorophenoxy)-2-methylpropionic acid, 3-(2,4-dichlorophenoxy)-2-methylpropanoic acid, Propionic acid, 3-(2,4-dichlorophenoxy)-2-methyl-
| Molecular Formula | C10H10Cl2O3 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.0007 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 13330-31-9 |
|---|---|
| SMILES | CC(COC1=C(C=C(C=C1)Cl)Cl)C(=O)O |
| InChIKey | SCWLXYQCDAPVOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid (CAS 13330-31-9), with molecular formula C10H10Cl2O3 and molecular weight 248.00 g/mol. IUPAC: 3-(2,4-dichlorophenoxy)-2-methylpropanoic acid.
Chemical Property Profile of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid
Property Insights of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid
The XLogP value of 3.7 indicates that 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenoxy)-2-methylpropanoic 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-(2,4-Dichlorophenoxy)-2-methylpropanoic acid?
The CAS number of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid is 13330-31-9.
What is the molecular formula of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid?
The molecular formula of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid is C10H10Cl2O3.
What is the molecular weight of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid?
The molecular weight of 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid is 248.00 g/mol.
Where can I buy 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid?
You can request a quote for 3-(2,4-Dichlorophenoxy)-2-methylpropanoic 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-Dichlorophenoxy)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenoxy)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.