Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
TL;DR: Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- (CAS 2012-74-0) 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.
2-(4-chlorophenyl)-3-methylbutanoic acid
Also Known As: 2-(4-Chlorophenyl)-3-methylbutanoic acid, 2-(4-Chlorophenyl)-3-methylbutyric acid, (RS)-Fenvaleric acid, esfenvalerate TP2, 2-(p-Chlorophenyl)-3-methylbutyric acid
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 2012-74-0 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | VTJMSIIXXKNIDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- (CAS 2012-74-0), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 2-(4-chlorophenyl)-3-methylbutanoic acid.
Chemical Property Profile of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
Property Insights of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
The XLogP value of 3.4 indicates that Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- 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 Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-?
The CAS number of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- is 2012-74-0.
What is the molecular formula of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-?
The molecular formula of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- is C11H13ClO2.
What is the molecular weight of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-?
The molecular weight of Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- is 212.06 g/mol.
Where can I buy Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-?
You can request a quote for Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.