2-(4-Chlorophenoxy)-3-methylbutanoic acid
TL;DR: 2-(4-Chlorophenoxy)-3-methylbutanoic acid (CAS 76075-79-1) 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-(4-chlorophenoxy)-3-methylbutanoic acid
Also Known As: 2-(4-chlorophenoxy)-3-methylbutanoic acid, 2- -3-methylbutanoicacid, 2-(4-chlorophenoxy)-3-methyl-butanoic Acid, 2-(4-chlorophenoxy)-3-methylbutanoicacid, 838-991-4
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.828 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 332.1912 |
Chemical Identifiers
| CAS Number | 76075-79-1 |
|---|---|
| SMILES | CC(C)C(C(=O)O)OC1=CC=C(C=C1)Cl |
Product Overview
2-(4-Chlorophenoxy)-3-methylbutanoic acid (CAS 76075-79-1), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: 2-(4-chlorophenoxy)-3-methylbutanoic acid.
Chemical Property Profile of 2-(4-Chlorophenoxy)-3-methylbutanoic acid
Property Insights of 2-(4-Chlorophenoxy)-3-methylbutanoic acid
The XLogP value of 2.828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenoxy)-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(4-Chlorophenoxy)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenoxy)-3-methylbutanoic 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-(4-Chlorophenoxy)-3-methylbutanoic acid?
The CAS number of 2-(4-Chlorophenoxy)-3-methylbutanoic acid is 76075-79-1.
What is the molecular formula of 2-(4-Chlorophenoxy)-3-methylbutanoic acid?
The molecular formula of 2-(4-Chlorophenoxy)-3-methylbutanoic acid is C11H13ClO3.
What is the molecular weight of 2-(4-Chlorophenoxy)-3-methylbutanoic acid?
The molecular weight of 2-(4-Chlorophenoxy)-3-methylbutanoic acid is 228.06 g/mol.
Where can I buy 2-(4-Chlorophenoxy)-3-methylbutanoic acid?
You can request a quote for 2-(4-Chlorophenoxy)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenoxy)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenoxy)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.