2,3,4-Trimethoxy-6-nitrobenzoic acid
TL;DR: 2,3,4-Trimethoxy-6-nitrobenzoic acid (CAS 61948-84-3) is a chemical compound with molecular formula C10H11NO7 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethoxy-6-nitrobenzoic acid
Also Known As: 2,3,4-Trimethoxy-6-nitrobenzoic acid, 2,3,4-trimethoxy-6-nitro-benzoic acid, 2,3,4-Trimethoxy-6-nitrobenzoic acid #, Benzoic acid, 2,3,4-trimethoxy-6-nitro-
| Molecular Formula | C10H11NO7 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.05356 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 61948-84-3 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)[N+](=O)[O-])C(=O)O)OC)OC |
| InChIKey | DSONWCVMECGSKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethoxy-6-nitrobenzoic acid (CAS 61948-84-3), with molecular formula C10H11NO7 and molecular weight 257.05 g/mol. IUPAC: 2,3,4-trimethoxy-6-nitrobenzoic acid.
Chemical Property Profile of 2,3,4-Trimethoxy-6-nitrobenzoic acid
Property Insights of 2,3,4-Trimethoxy-6-nitrobenzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethoxy-6-nitrobenzoic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4-Trimethoxy-6-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,3,4-Trimethoxy-6-nitrobenzoic acid has 1 hydrogen bond donor(s) and 7 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 2,3,4-Trimethoxy-6-nitrobenzoic acid?
The CAS number of 2,3,4-Trimethoxy-6-nitrobenzoic acid is 61948-84-3.
What is the molecular formula of 2,3,4-Trimethoxy-6-nitrobenzoic acid?
The molecular formula of 2,3,4-Trimethoxy-6-nitrobenzoic acid is C10H11NO7.
What is the molecular weight of 2,3,4-Trimethoxy-6-nitrobenzoic acid?
The molecular weight of 2,3,4-Trimethoxy-6-nitrobenzoic acid is 257.05 g/mol.
Where can I buy 2,3,4-Trimethoxy-6-nitrobenzoic acid?
You can request a quote for 2,3,4-Trimethoxy-6-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethoxy-6-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethoxy-6-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.