2,4,6-Trimethyl-3-nitrobenzoic acid
TL;DR: 2,4,6-Trimethyl-3-nitrobenzoic acid (CAS 106567-41-3) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethyl-3-nitrobenzoic acid
Also Known As: 2,4,6-trimethyl-3-nitrobenzoic acid, Benzoic acid, 2,4,6-trimethyl-3-nitro-, 4-nitromesitylenecarboxylic acid, 3-nitro-2,4,6-trimethylbenzoic acid, 2,4,6-trimethyl-3-nitrobenzoicacid
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.21826 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 412.9759 |
Chemical Identifiers
| CAS Number | 106567-41-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)O)C)[N+](=O)[O-])C |
Product Overview
2,4,6-Trimethyl-3-nitrobenzoic acid (CAS 106567-41-3), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2,4,6-trimethyl-3-nitrobenzoic acid.
Chemical Property Profile of 2,4,6-Trimethyl-3-nitrobenzoic acid
Property Insights of 2,4,6-Trimethyl-3-nitrobenzoic acid
The XLogP value of 2.21826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethyl-3-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trimethyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 3 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-nitrobenzoic acid?
The CAS number of 2,4,6-Trimethyl-3-nitrobenzoic acid is 106567-41-3.
What is the molecular formula of 2,4,6-Trimethyl-3-nitrobenzoic acid?
The molecular formula of 2,4,6-Trimethyl-3-nitrobenzoic acid is C10H11NO4.
What is the molecular weight of 2,4,6-Trimethyl-3-nitrobenzoic acid?
The molecular weight of 2,4,6-Trimethyl-3-nitrobenzoic acid is 209.07 g/mol.
Where can I buy 2,4,6-Trimethyl-3-nitrobenzoic acid?
You can request a quote for 2,4,6-Trimethyl-3-nitrobenzoic 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-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.