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Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
TL;DR: Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate (CAS 61471-49-6) is a chemical compound with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
Also Known As: ethyl 2-(4,5-dimethoxy-2-nitrobenzamido)acetate, ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate, ethyl N-[(4,5-dimethoxy-2-nitrophenyl)carbonyl]glycinate, ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)carbonylamino]acetate
| Molecular Formula | C13H16N2O7 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 0.9049 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.09576 |
| Heavy Atoms | 22 |
| Complexity | 585.9965 |
Chemical Identifiers
| CAS Number | 61471-49-6 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
Product Overview
Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate (CAS 61471-49-6), with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol. IUPAC: ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate.
Chemical Property Profile of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
Property Insights of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
The XLogP value of 0.9049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate 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 Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The CAS number of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is 61471-49-6.
What is the molecular formula of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The molecular formula of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is C13H16N2O7.
What is the molecular weight of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The molecular weight of Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is 312.10 g/mol.
Where can I buy Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
You can request a quote for Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.