![Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate structure](/static/products/314/314282-56-9.png)
Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
TL;DR: Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate (CAS 314282-56-9) is a chemical compound with molecular formula C11H11FN2O5 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate
Also Known As: methyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate, methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate, BAS 00675502, methyl 4-{2-fluoro-5-nitroanilino}-4-oxobutanoate, methyl 3-[N-(2-fluoro-5-nitrophenyl)carbamoyl]propanoate
| Molecular Formula | C11H11FN2O5 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0652 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 314282-56-9 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F |
| InChIKey | LIHSLTZTQWHXTJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate (CAS 314282-56-9), with molecular formula C11H11FN2O5 and molecular weight 270.07 g/mol. IUPAC: methyl 4-(2-fluoro-5-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
Property Insights of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The CAS number of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is 314282-56-9.
What is the molecular formula of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular formula of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is C11H11FN2O5.
What is the molecular weight of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular weight of Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate is 270.07 g/mol.
Where can I buy Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
You can request a quote for Methyl 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 Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.