2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate
TL;DR: 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 387381-84-2) is a chemical compound with molecular formula C14H10BrFN2O3 and molecular weight 351.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: starbld0000991, 2-((4-fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate, AB00718158-01, [(4-fluorophenyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate, [2-(4-fluoroanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
| Molecular Formula | C14H10BrFN2O3 |
|---|---|
| Molecular Weight | 351.99 g/mol |
| LogP | 2.7787 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.98587 |
| Heavy Atoms | 21 |
| Complexity | 661.5236 |
Chemical Identifiers
| CAS Number | 387381-84-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CN=C2)Br)F |
Product Overview
2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 387381-84-2), with molecular formula C14H10BrFN2O3 and molecular weight 351.99 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate
Property Insights of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate
The XLogP value of 2.7787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate. Following Lipinski's Rule of Five, 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate has 1 hydrogen bond donor(s) and 4 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-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate?
The CAS number of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate is 387381-84-2.
What is the molecular formula of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate?
The molecular formula of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate is C14H10BrFN2O3.
What is the molecular weight of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate?
The molecular weight of 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate is 351.99 g/mol.
Where can I buy 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate?
You can request a quote for 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Fluorophenyl)amino)-2-oxoethyl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.