3,4-Dimethoxy-2-nitrobenzoic acid
TL;DR: 3,4-Dimethoxy-2-nitrobenzoic acid (CAS 79025-28-8) is a chemical compound with molecular formula C9H9NO6 and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-2-nitrobenzoic acid
Also Known As: 3,4-dimethoxy-2-nitrobenzoic acid, Nitroveratrumsaure, Fruquintinib Impurity 4, 3,4-dimethoxy-2-nitro-benzoic Acid, 3,4-Dimethoxy-2-nitrobenzoicacid
| Molecular Formula | C9H9NO6 |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 1.3102 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.04298 |
| Heavy Atoms | 16 |
| Complexity | 441.8705 |
Chemical Identifiers
| CAS Number | 79025-28-8 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])OC |
Product Overview
3,4-Dimethoxy-2-nitrobenzoic acid (CAS 79025-28-8), with molecular formula C9H9NO6 and molecular weight 227.04 g/mol. IUPAC: 3,4-dimethoxy-2-nitrobenzoic acid.
Chemical Property Profile of 3,4-Dimethoxy-2-nitrobenzoic acid
Property Insights of 3,4-Dimethoxy-2-nitrobenzoic acid
The XLogP value of 1.3102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxy-2-nitrobenzoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethoxy-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3,4-Dimethoxy-2-nitrobenzoic 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 3,4-Dimethoxy-2-nitrobenzoic acid?
The CAS number of 3,4-Dimethoxy-2-nitrobenzoic acid is 79025-28-8.
What is the molecular formula of 3,4-Dimethoxy-2-nitrobenzoic acid?
The molecular formula of 3,4-Dimethoxy-2-nitrobenzoic acid is C9H9NO6.
What is the molecular weight of 3,4-Dimethoxy-2-nitrobenzoic acid?
The molecular weight of 3,4-Dimethoxy-2-nitrobenzoic acid is 227.04 g/mol.
Where can I buy 3,4-Dimethoxy-2-nitrobenzoic acid?
You can request a quote for 3,4-Dimethoxy-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxy-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.