alpha-(2-Chlorophenoxy)benzeneacetic acid
TL;DR: alpha-(2-Chlorophenoxy)benzeneacetic acid (CAS 17639-01-9) is a chemical compound with molecular formula C14H11ClO3 and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenoxy)-2-phenylacetic acid
Also Known As: (o-Chlorophenoxy)phenylacetic acid, 2-(2-chlorophenoxy)-2-phenylacetic acid, Acide (o-chlorophenoxy)phenylacetique, (2-chlorophenoxy)(phenyl)acetic acid, alpha-(2-Chlorophenoxy)benzeneacetic acid
| Molecular Formula | C14H11ClO3 |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.03967 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 17639-01-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC=C2Cl |
| InChIKey | RAZABXQTXNREAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(2-Chlorophenoxy)benzeneacetic acid (CAS 17639-01-9), with molecular formula C14H11ClO3 and molecular weight 262.04 g/mol. IUPAC: 2-(2-chlorophenoxy)-2-phenylacetic acid.
Chemical Property Profile of alpha-(2-Chlorophenoxy)benzeneacetic acid
Property Insights of alpha-(2-Chlorophenoxy)benzeneacetic acid
The XLogP value of 3.8 indicates that alpha-(2-Chlorophenoxy)benzeneacetic 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, alpha-(2-Chlorophenoxy)benzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2-Chlorophenoxy)benzeneacetic 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 alpha-(2-Chlorophenoxy)benzeneacetic acid?
The CAS number of alpha-(2-Chlorophenoxy)benzeneacetic acid is 17639-01-9.
What is the molecular formula of alpha-(2-Chlorophenoxy)benzeneacetic acid?
The molecular formula of alpha-(2-Chlorophenoxy)benzeneacetic acid is C14H11ClO3.
What is the molecular weight of alpha-(2-Chlorophenoxy)benzeneacetic acid?
The molecular weight of alpha-(2-Chlorophenoxy)benzeneacetic acid is 262.04 g/mol.
Where can I buy alpha-(2-Chlorophenoxy)benzeneacetic acid?
You can request a quote for alpha-(2-Chlorophenoxy)benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2-Chlorophenoxy)benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-Chlorophenoxy)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.