2-(2-Allyl-4-chlorophenoxy)acetic acid
TL;DR: 2-(2-Allyl-4-chlorophenoxy)acetic acid (CAS 88338-92-5) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-prop-2-enylphenoxy)acetic acid
Also Known As: 2-(2-allyl-4-chlorophenoxy)acetic acid, 2-(4-chloro-2-prop-2-enylphenoxy)acetic acid, (2-allyl-4-chloro-phenoxy)-acetic acid, [4-chloro-2-(prop-2-en-1-yl)phenoxy]acetic acid, 2-(4-Chloranyl-2-prop-enyl-phenoxy)ethanoic acid
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 88338-92-5 |
|---|---|
| SMILES | C=CCC1=C(C=CC(=C1)Cl)OCC(=O)O |
| InChIKey | SUGLMNNOLUZPQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Allyl-4-chlorophenoxy)acetic acid (CAS 88338-92-5), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 2-(4-chloro-2-prop-2-enylphenoxy)acetic acid.
Chemical Property Profile of 2-(2-Allyl-4-chlorophenoxy)acetic acid
Property Insights of 2-(2-Allyl-4-chlorophenoxy)acetic acid
The XLogP value of 3.2 indicates that 2-(2-Allyl-4-chlorophenoxy)acetic 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, 2-(2-Allyl-4-chlorophenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Allyl-4-chlorophenoxy)acetic 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 2-(2-Allyl-4-chlorophenoxy)acetic acid?
The CAS number of 2-(2-Allyl-4-chlorophenoxy)acetic acid is 88338-92-5.
What is the molecular formula of 2-(2-Allyl-4-chlorophenoxy)acetic acid?
The molecular formula of 2-(2-Allyl-4-chlorophenoxy)acetic acid is C11H11ClO3.
What is the molecular weight of 2-(2-Allyl-4-chlorophenoxy)acetic acid?
The molecular weight of 2-(2-Allyl-4-chlorophenoxy)acetic acid is 226.04 g/mol.
Where can I buy 2-(2-Allyl-4-chlorophenoxy)acetic acid?
You can request a quote for 2-(2-Allyl-4-chlorophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Allyl-4-chlorophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Allyl-4-chlorophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.