3,4,5-Trimethoxy-2-nitrobenzoic acid
TL;DR: 3,4,5-Trimethoxy-2-nitrobenzoic acid (CAS 66907-52-6) 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.
3,4,5-trimethoxy-2-nitrobenzoic acid
Also Known As: 3,4,5-Trimethoxy-2-nitrobenzoic acid, Tri-o-tolylphosphine, Maybridge1_001377, 2-Nitro-3,4,5-trimethoxybenzoic acid, NCIStruc1_000891
| 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 |
| Solubility | >38.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 66907-52-6 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OC |
| InChIKey | VPVAFLFJAAPHKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxy-2-nitrobenzoic acid (CAS 66907-52-6), with molecular formula C10H11NO7 and molecular weight 257.05 g/mol. IUPAC: 3,4,5-trimethoxy-2-nitrobenzoic acid.
Chemical Property Profile of 3,4,5-Trimethoxy-2-nitrobenzoic acid
Property Insights of 3,4,5-Trimethoxy-2-nitrobenzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxy-2-nitrobenzoic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxy-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-2-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 3,4,5-Trimethoxy-2-nitrobenzoic acid?
The CAS number of 3,4,5-Trimethoxy-2-nitrobenzoic acid is 66907-52-6.
What is the molecular formula of 3,4,5-Trimethoxy-2-nitrobenzoic acid?
The molecular formula of 3,4,5-Trimethoxy-2-nitrobenzoic acid is C10H11NO7.
What is the molecular weight of 3,4,5-Trimethoxy-2-nitrobenzoic acid?
The molecular weight of 3,4,5-Trimethoxy-2-nitrobenzoic acid is 257.05 g/mol.
Where can I buy 3,4,5-Trimethoxy-2-nitrobenzoic acid?
You can request a quote for 3,4,5-Trimethoxy-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 3,4,5-Trimethoxy-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.