Benzeneacetic acid, 2-(1,1-dimethylethyl)-
TL;DR: Benzeneacetic acid, 2-(1,1-dimethylethyl)- (CAS 27749-40-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-tert-butylphenyl)acetic acid
Also Known As: aceticacid, (2-tert-butylphenyl)acetic acid, Acetic acid, (o-tert-butylphenyl)-, Benzeneacetic acid, 2-(1,1-dimethylethyl)-, 2-(2-tert-butylphenyl)acetic acid
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 27749-40-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1CC(=O)O |
| InChIKey | POMSYACWYMCETR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 2-(1,1-dimethylethyl)- (CAS 27749-40-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-(2-tert-butylphenyl)acetic acid.
Chemical Property Profile of Benzeneacetic acid, 2-(1,1-dimethylethyl)-
Property Insights of Benzeneacetic acid, 2-(1,1-dimethylethyl)-
The XLogP value of 3.2 indicates that Benzeneacetic acid, 2-(1,1-dimethylethyl)- 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, 2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(1,1-dimethylethyl)- 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, 2-(1,1-dimethylethyl)-?
The CAS number of Benzeneacetic acid, 2-(1,1-dimethylethyl)- is 27749-40-2.
What is the molecular formula of Benzeneacetic acid, 2-(1,1-dimethylethyl)-?
The molecular formula of Benzeneacetic acid, 2-(1,1-dimethylethyl)- is C12H16O2.
What is the molecular weight of Benzeneacetic acid, 2-(1,1-dimethylethyl)-?
The molecular weight of Benzeneacetic acid, 2-(1,1-dimethylethyl)- is 192.12 g/mol.
Where can I buy Benzeneacetic acid, 2-(1,1-dimethylethyl)-?
You can request a quote for Benzeneacetic acid, 2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.