4,5-二甲氧基-2-硝基苯甲酸
TL;DR: 4,5-二甲氧基-2-硝基苯甲酸 (CAS 4998-07-6) 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.
4,5-二甲氧基-2-硝基苯甲酸
4,5-dimethoxy-2-nitrobenzoic acid
Also Known As: 4,5-Dimethoxy-2-nitrobenzoic acid, 6-Nitroveratric acid, 3,4-Dimethoxy-6-nitrobenzoic acid, 4-Nitroveratic acid, zlchem 681
| Molecular Formula | C9H9NO6 |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04298 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4998-07-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC |
| InChIKey | WWCMFGBGMJAJRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二甲氧基-2-硝基苯甲酸 (CAS 4998-07-6), with molecular formula C9H9NO6 and molecular weight 227.04 g/mol. IUPAC: 4,5-dimethoxy-2-nitrobenzoic acid.
Chemical Property Profile of 4,5-二甲氧基-2-硝基苯甲酸
Property Insights of 4,5-二甲氧基-2-硝基苯甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-二甲氧基-2-硝基苯甲酸. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二甲氧基-2-硝基苯甲酸. Following Lipinski's Rule of Five, 4,5-二甲氧基-2-硝基苯甲酸 has 1 hydrogen bond donor(s) and 6 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 4,5-二甲氧基-2-硝基苯甲酸?
The CAS number of 4,5-二甲氧基-2-硝基苯甲酸 is 4998-07-6.
What is the molecular formula of 4,5-二甲氧基-2-硝基苯甲酸?
The molecular formula of 4,5-二甲氧基-2-硝基苯甲酸 is C9H9NO6.
What is the molecular weight of 4,5-二甲氧基-2-硝基苯甲酸?
The molecular weight of 4,5-二甲氧基-2-硝基苯甲酸 is 227.04 g/mol.
Where can I buy 4,5-二甲氧基-2-硝基苯甲酸?
You can request a quote for 4,5-二甲氧基-2-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二甲氧基-2-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二甲氧基-2-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.