2,6-Dimethoxy-3-nitrobenzoic acid
TL;DR: 2,6-Dimethoxy-3-nitrobenzoic acid (CAS 55776-17-5) 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.
2,6-dimethoxy-3-nitrobenzoic acid
Also Known As: 2,6-Dimethoxy-3-nitrobenzoic acid, EINECS 259-814-1, 2,6-Dimethoxy-3-nitro-benzoic acid, Benzoic acid, 2,6-dimethoxy-3-nitro-, LABOTEST-BB LT00455148
| 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 | 55776-17-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O |
Product Overview
2,6-Dimethoxy-3-nitrobenzoic acid (CAS 55776-17-5), with molecular formula C9H9NO6 and molecular weight 227.04 g/mol. IUPAC: 2,6-dimethoxy-3-nitrobenzoic acid.
Chemical Property Profile of 2,6-Dimethoxy-3-nitrobenzoic acid
Property Insights of 2,6-Dimethoxy-3-nitrobenzoic acid
The XLogP value of 1.3102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethoxy-3-nitrobenzoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethoxy-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,6-Dimethoxy-3-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 2,6-Dimethoxy-3-nitrobenzoic acid?
The CAS number of 2,6-Dimethoxy-3-nitrobenzoic acid is 55776-17-5.
What is the molecular formula of 2,6-Dimethoxy-3-nitrobenzoic acid?
The molecular formula of 2,6-Dimethoxy-3-nitrobenzoic acid is C9H9NO6.
What is the molecular weight of 2,6-Dimethoxy-3-nitrobenzoic acid?
The molecular weight of 2,6-Dimethoxy-3-nitrobenzoic acid is 227.04 g/mol.
Where can I buy 2,6-Dimethoxy-3-nitrobenzoic acid?
You can request a quote for 2,6-Dimethoxy-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 2,6-Dimethoxy-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethoxy-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.