Ethyl 4,5-dimethoxy-2-nitrobenzoate
TL;DR: Ethyl 4,5-dimethoxy-2-nitrobenzoate (CAS 100905-45-1) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,5-dimethoxy-2-nitrobenzoate
Also Known As: ethyl 4,5-dimethoxy-2-nitrobenzoate, Fruquintinib Impurity 3, ethyl 2-nitro-4,5-dimethoxybenzoate, 0292AA, Ethyl 3,4-dimethoxy-6-nitrobenzoate
Technical Specifications
| Molecular Formula | C11H13NO6 |
| Molecular Weight | 255.07428 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.07428 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
| InChIKey | VNPCXITWHOOQAJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4,5-dimethoxy-2-nitrobenzoate
Property Insights of Ethyl 4,5-dimethoxy-2-nitrobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,5-dimethoxy-2-nitrobenzoate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5-dimethoxy-2-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4,5-dimethoxy-2-nitrobenzoate 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 Ethyl 4,5-dimethoxy-2-nitrobenzoate?
The CAS number of Ethyl 4,5-dimethoxy-2-nitrobenzoate is 100905-45-1.
What is the molecular formula of Ethyl 4,5-dimethoxy-2-nitrobenzoate?
The molecular formula of Ethyl 4,5-dimethoxy-2-nitrobenzoate is C11H13NO6.
What is the molecular weight of Ethyl 4,5-dimethoxy-2-nitrobenzoate?
The molecular weight of Ethyl 4,5-dimethoxy-2-nitrobenzoate is 255.07428 g/mol.
Where can I buy Ethyl 4,5-dimethoxy-2-nitrobenzoate?
You can request a quote for Ethyl 4,5-dimethoxy-2-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4,5-dimethoxy-2-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4,5-dimethoxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.