2,6-Diethylbenzoic acid
TL;DR: 2,6-Diethylbenzoic acid (CAS 78114-07-5) 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.
2,6-diethylbenzoic acid
Also Known As: 2,6-diethylbenzoic acid, Benzoic acid, 2,6-diethyl-, 2,6-diethylbenzoicacid, Benzoicacid,2,6-diethyl-, AE-562/43287026
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5096 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 293.61636 |
Chemical Identifiers
| CAS Number | 78114-07-5 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)C(=O)O |
Product Overview
2,6-Diethylbenzoic acid (CAS 78114-07-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2,6-diethylbenzoic acid.
Chemical Property Profile of 2,6-Diethylbenzoic acid
Property Insights of 2,6-Diethylbenzoic acid
The XLogP value of 2.5096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-Diethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethylbenzoic 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 2,6-Diethylbenzoic acid?
The CAS number of 2,6-Diethylbenzoic acid is 78114-07-5.
What is the molecular formula of 2,6-Diethylbenzoic acid?
The molecular formula of 2,6-Diethylbenzoic acid is C11H14O2.
What is the molecular weight of 2,6-Diethylbenzoic acid?
The molecular weight of 2,6-Diethylbenzoic acid is 178.10 g/mol.
Where can I buy 2,6-Diethylbenzoic acid?
You can request a quote for 2,6-Diethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.