2,4,6-Triethylbenzoic acid
TL;DR: 2,4,6-Triethylbenzoic acid (CAS 92035-96-6) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-triethylbenzoic acid
Also Known As: 2,4,6-triethylbenzoic acid, 2,4,6-triethyl-benzoic acid, RefChem:245773
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 92035-96-6 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)CC)C(=O)O)CC |
| InChIKey | GZVJGBAQVVJGKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Triethylbenzoic acid (CAS 92035-96-6), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2,4,6-triethylbenzoic acid.
Chemical Property Profile of 2,4,6-Triethylbenzoic acid
Property Insights of 2,4,6-Triethylbenzoic acid
The XLogP value of 3.8 indicates that 2,4,6-Triethylbenzoic 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, 2,4,6-Triethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Triethylbenzoic 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 2,4,6-Triethylbenzoic acid?
The CAS number of 2,4,6-Triethylbenzoic acid is 92035-96-6.
What is the molecular formula of 2,4,6-Triethylbenzoic acid?
The molecular formula of 2,4,6-Triethylbenzoic acid is C13H18O2.
What is the molecular weight of 2,4,6-Triethylbenzoic acid?
The molecular weight of 2,4,6-Triethylbenzoic acid is 206.13 g/mol.
Where can I buy 2,4,6-Triethylbenzoic acid?
You can request a quote for 2,4,6-Triethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Triethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Triethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.