(alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid
TL;DR: (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid (CAS 55332-38-2) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-chlorophenyl)-3-methylbutanoic acid
Also Known As: (S)-2-(4-Chlorophenyl)-3-methylbutanoic acid, S-Fenvalerate acid, (S)-Fenvaleric acid, (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid, (S)-2-(4-chlorophenyl)isovaleric acid
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.1642 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 316.56433 |
Chemical Identifiers
| CAS Number | 55332-38-2 |
|---|---|
| SMILES | CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O |
Product Overview
(alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid (CAS 55332-38-2), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid.
Chemical Property Profile of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid
Property Insights of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid
The XLogP value of 3.1642 indicates that (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid has 1 hydrogen bond donor(s) and 1 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 (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid?
The CAS number of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid is 55332-38-2.
What is the molecular formula of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid?
The molecular formula of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid is C11H13ClO2.
What is the molecular weight of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid?
The molecular weight of (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid is 212.06 g/mol.
Where can I buy (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid?
You can request a quote for (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (alphaS)-4-Chloro-alpha-(1-methylethyl)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.