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Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate
TL;DR: Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate (CAS 349440-47-7) is a chemical compound with molecular formula C18H18N2O7 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate
Also Known As: ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate, ETHYL 3-(4,5-DIMETHOXY-2-NITROBENZAMIDO)BENZOATE, ethyl 3-[(4,5-dimethoxy-2-nitrophenyl)carbonylamino]benzoate, ethyl 3-{[(4,5-dimethoxy-2-nitrophenyl)carbonyl]amino}benzoate
| Molecular Formula | C18H18N2O7 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 3.041 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1114 |
| Heavy Atoms | 27 |
| Complexity | 880.00903 |
Chemical Identifiers
| CAS Number | 349440-47-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC |
Product Overview
Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate (CAS 349440-47-7), with molecular formula C18H18N2O7 and molecular weight 374.11 g/mol. IUPAC: ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate
Property Insights of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate
The XLogP value of 3.041 indicates that Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate 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 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate?
The CAS number of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate is 349440-47-7.
What is the molecular formula of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate?
The molecular formula of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate is C18H18N2O7.
What is the molecular weight of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate?
The molecular weight of Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate is 374.11 g/mol.
Where can I buy Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate?
You can request a quote for Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.