2,4,6-Trimethyl-3-neopentylbenzoic acid
TL;DR: 2,4,6-Trimethyl-3-neopentylbenzoic acid (CAS 33770-77-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylpropyl)-2,4,6-trimethylbenzoic acid
Also Known As: 2,4,6-trimethyl-3-neopentylbenzoic acid, 3-(2,2-dimethylpropyl)-2,4,6-trimethylbenzoic acid, AE-562/12222048
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.89866 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 450.97012 |
Chemical Identifiers
| CAS Number | 33770-77-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CC(C)(C)C)C)C(=O)O)C |
Product Overview
2,4,6-Trimethyl-3-neopentylbenzoic acid (CAS 33770-77-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 3-(2,2-dimethylpropyl)-2,4,6-trimethylbenzoic acid.
Chemical Property Profile of 2,4,6-Trimethyl-3-neopentylbenzoic acid
Property Insights of 2,4,6-Trimethyl-3-neopentylbenzoic acid
The XLogP value of 3.89866 indicates that 2,4,6-Trimethyl-3-neopentylbenzoic 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-Trimethyl-3-neopentylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-3-neopentylbenzoic 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 2,4,6-Trimethyl-3-neopentylbenzoic acid?
The CAS number of 2,4,6-Trimethyl-3-neopentylbenzoic acid is 33770-77-3.
What is the molecular formula of 2,4,6-Trimethyl-3-neopentylbenzoic acid?
The molecular formula of 2,4,6-Trimethyl-3-neopentylbenzoic acid is C15H22O2.
What is the molecular weight of 2,4,6-Trimethyl-3-neopentylbenzoic acid?
The molecular weight of 2,4,6-Trimethyl-3-neopentylbenzoic acid is 234.16 g/mol.
Where can I buy 2,4,6-Trimethyl-3-neopentylbenzoic acid?
You can request a quote for 2,4,6-Trimethyl-3-neopentylbenzoic 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-Trimethyl-3-neopentylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethyl-3-neopentylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.