2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid
TL;DR: 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid (CAS 588692-86-8) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-5-methylphenoxy)-2-methylpropanoic acid
Also Known As: 2-(2-chloro-5-methylphenoxy)-2-methylpropanoic acid, Octahydroquinolin-4-one, CHEMBRDG-BB 3013910, 2-(2-chloro-5-methyl-phenoxy)-2-methyl-propanoic Acid, 2-(2-chloro-5-methylphenoxy)-2-methylpropanoicacid
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.89042 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 385.41946 |
Chemical Identifiers
| CAS Number | 588692-86-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OC(C)(C)C(=O)O |
Product Overview
2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid (CAS 588692-86-8), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: 2-(2-chloro-5-methylphenoxy)-2-methylpropanoic acid.
Chemical Property Profile of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid
Property Insights of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid
The XLogP value of 2.89042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 2 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-5-methylphenoxy)-2-methylpropanoic acid?
The CAS number of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid is 588692-86-8.
What is the molecular formula of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid?
The molecular formula of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid is C11H13ClO3.
What is the molecular weight of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid?
The molecular weight of 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid is 228.06 g/mol.
Where can I buy 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid?
You can request a quote for 2-(2-Chloro-5-methylphenoxy)-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 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-5-methylphenoxy)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.