4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid
TL;DR: 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid (CAS 314281-85-1) is a chemical compound with molecular formula C10H9FN2O5 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluoro-5-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-(2-fluoro-5-nitroanilino)-4-oxobutanoic acid, 4-((2-Fluoro-5-nitrophenyl)amino)-4-oxobutanoic acid, Z-Diaethyl-1-phenyl-2-bromvinyl-phosphat, AN-329/11663698, 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxobutanoic acid
| Molecular Formula | C10H9FN2O5 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.04956 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 314281-85-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCC(=O)O)F |
| InChIKey | MBXPMPSJKIGXDY-UHFFFAOYSA-N |
Product Overview
4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid (CAS 314281-85-1), with molecular formula C10H9FN2O5 and molecular weight 256.05 g/mol. IUPAC: 4-(2-fluoro-5-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid
Property Insights of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid has 2 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 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid?
The CAS number of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid is 314281-85-1.
What is the molecular formula of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid is C10H9FN2O5.
What is the molecular weight of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid is 256.05 g/mol.
Where can I buy 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Fluoro-5-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.