tert-Butylbenzoic acid (mixed isomers)
TL;DR: tert-Butylbenzoic acid (mixed isomers) (CAS 1320-16-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylbenzoic acid
Also Known As: 2-tert-Butylbenzoic acid, 2-(tert-Butyl)benzoic acid, tert-Butylbenzoic acid, 4-tert-Butylbenzoic acid, o-tert-butylbenzoic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 1320-16-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1C(=O)O |
| InChIKey | ZDFKSZDMHJHQHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylbenzoic acid (mixed isomers) (CAS 1320-16-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-tert-butylbenzoic acid.
Chemical Property Profile of tert-Butylbenzoic acid (mixed isomers)
Property Insights of tert-Butylbenzoic acid (mixed isomers)
The XLogP value of 3.8 indicates that tert-Butylbenzoic acid (mixed isomers) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, tert-Butylbenzoic acid (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylbenzoic acid (mixed isomers) 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 tert-Butylbenzoic acid (mixed isomers)?
The CAS number of tert-Butylbenzoic acid (mixed isomers) is 1320-16-7.
What is the molecular formula of tert-Butylbenzoic acid (mixed isomers)?
The molecular formula of tert-Butylbenzoic acid (mixed isomers) is C11H14O2.
What is the molecular weight of tert-Butylbenzoic acid (mixed isomers)?
The molecular weight of tert-Butylbenzoic acid (mixed isomers) is 178.10 g/mol.
Where can I buy tert-Butylbenzoic acid (mixed isomers)?
You can request a quote for tert-Butylbenzoic acid (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylbenzoic acid (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylbenzoic acid (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.