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Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
TL;DR: Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-75-9) is a chemical compound with molecular formula C12H13FN2O5 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate
Also Known As: Ethyl 4-{2-fluoro-5-nitroanilino}, ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate, ethyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate, AN-329/40688427, ethyl 4-{2-fluoro-5-nitroanilino}-4-oxobutanoate
| Molecular Formula | C12H13FN2O5 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.0157 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.08084 |
| Heavy Atoms | 20 |
| Complexity | 532.579 |
Chemical Identifiers
| CAS Number | 356550-75-9 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F |
Product Overview
Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-75-9), with molecular formula C12H13FN2O5 and molecular weight 284.08 g/mol. IUPAC: ethyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
Property Insights of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
The XLogP value of 2.0157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate has 1 hydrogen bond donor(s) and 5 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 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The CAS number of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is 356550-75-9.
What is the molecular formula of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is C12H13FN2O5.
What is the molecular weight of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is 284.08 g/mol.
Where can I buy Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.