2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate
TL;DR: 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate (CAS 6595-09-1) is a chemical compound with molecular formula C17H15FN4O7 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate
Also Known As: 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate, [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate, (4-fluoro-3-nitro-phenyl)carbamoylmethyl 4-ethylamino-3-nitro-benzoate
| Molecular Formula | C17H15FN4O7 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.8694 |
| Topological Polar Surface Area | 153.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.09247 |
| Heavy Atoms | 29 |
| Complexity | 980.2489 |
Chemical Identifiers
| CAS Number | 6595-09-1 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate (CAS 6595-09-1), with molecular formula C17H15FN4O7 and molecular weight 406.09 g/mol. IUPAC: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate.
Chemical Property Profile of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate
Property Insights of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate
The XLogP value of 2.8694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate. The TPSA of 153.71 Ų indicates high polarity, suggesting 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate has 2 hydrogen bond donor(s) and 8 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 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate?
The CAS number of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate is 6595-09-1.
What is the molecular formula of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate?
The molecular formula of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate is C17H15FN4O7.
What is the molecular weight of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate?
The molecular weight of 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate is 406.09 g/mol.
Where can I buy 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate?
You can request a quote for 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluoro-3-nitroanilino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.