2,6-Dimethyl-3,5-dinitrobenzoic acid
TL;DR: 2,6-Dimethyl-3,5-dinitrobenzoic acid (CAS 118561-70-9) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-3,5-dinitrobenzoic acid
Also Known As: 2,6-dimethyl-3,5-dinitrobenzoic acid, Benzoic acid,2,6-dimethyl-3,5-dinitro-, Benzoic acid, 2,6-dimethyl-3,5-dinitro-, 2,6-dimethyl-3,5-dinitro-benzoic Acid, 2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.81804 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 498.5279 |
Chemical Identifiers
| CAS Number | 118561-70-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C)C(=O)O |
Product Overview
2,6-Dimethyl-3,5-dinitrobenzoic acid (CAS 118561-70-9), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: 2,6-dimethyl-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2,6-Dimethyl-3,5-dinitrobenzoic acid
Property Insights of 2,6-Dimethyl-3,5-dinitrobenzoic acid
The XLogP value of 1.81804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-3,5-dinitrobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 2,6-Dimethyl-3,5-dinitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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-Dimethyl-3,5-dinitrobenzoic acid?
The CAS number of 2,6-Dimethyl-3,5-dinitrobenzoic acid is 118561-70-9.
What is the molecular formula of 2,6-Dimethyl-3,5-dinitrobenzoic acid?
The molecular formula of 2,6-Dimethyl-3,5-dinitrobenzoic acid is C9H8N2O6.
What is the molecular weight of 2,6-Dimethyl-3,5-dinitrobenzoic acid?
The molecular weight of 2,6-Dimethyl-3,5-dinitrobenzoic acid is 240.04 g/mol.
Where can I buy 2,6-Dimethyl-3,5-dinitrobenzoic acid?
You can request a quote for 2,6-Dimethyl-3,5-dinitrobenzoic 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-Dimethyl-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.