2-(2-Chloro-4-methylphenoxy)acetic acid
TL;DR: 2-(2-Chloro-4-methylphenoxy)acetic acid (CAS 6476-39-7) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-methylphenoxy)acetic acid
Also Known As: 2-(2-chloro-4-methylphenoxy)acetic acid, (2-Chloro-4-methyl-phenoxy)-acetic acid, (2-chloro-4-methylphenoxy)acetic acid, KST-1A7116, 2-chloro-4-methylphenoxyacetic acid
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 6476-39-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)O)Cl |
| InChIKey | PNTSMIMYOILILJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Chloro-4-methylphenoxy)acetic acid (CAS 6476-39-7), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 2-(2-chloro-4-methylphenoxy)acetic acid.
Chemical Property Profile of 2-(2-Chloro-4-methylphenoxy)acetic acid
Property Insights of 2-(2-Chloro-4-methylphenoxy)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-4-methylphenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(2-Chloro-4-methylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-4-methylphenoxy)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-Chloro-4-methylphenoxy)acetic acid?
The CAS number of 2-(2-Chloro-4-methylphenoxy)acetic acid is 6476-39-7.
What is the molecular formula of 2-(2-Chloro-4-methylphenoxy)acetic acid?
The molecular formula of 2-(2-Chloro-4-methylphenoxy)acetic acid is C9H9ClO3.
What is the molecular weight of 2-(2-Chloro-4-methylphenoxy)acetic acid?
The molecular weight of 2-(2-Chloro-4-methylphenoxy)acetic acid is 200.02 g/mol.
Where can I buy 2-(2-Chloro-4-methylphenoxy)acetic acid?
You can request a quote for 2-(2-Chloro-4-methylphenoxy)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-Chloro-4-methylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-4-methylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.