Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester
TL;DR: Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester (CAS 26791-93-5) is a chemical compound with molecular formula C10H11NO6 and molecular weight 241.05864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,5-dimethoxy-2-nitrobenzoate
Also Known As: Methyl 4,5-dimethoxy-2-nitrobenzoate, Methyl 6-nitroveratrate, methyl 2-nitroveratrate, 6-nitroveratric acid methyl ester, Entacapone Impurity 105
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO6 |
| Molecular Weight | 241.05864 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05864 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC |
| InChIKey | SYYKLKHBZGFKOC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester
Property Insights of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester?
The CAS number of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester is 26791-93-5.
What is the molecular formula of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester?
The molecular formula of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester is C10H11NO6.
What is the molecular weight of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester?
The molecular weight of Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester is 241.05864 g/mol.
Where can I buy Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester?
You can request a quote for Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.