2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate
TL;DR: 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 745788-57-2) is a chemical compound with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: starbld0002027, 2-((4-(methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate, F6609-1848, [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate, {[4-(methoxycarbonyl)phenyl]carbamoyl}methyl 5-bromopyridine-3-carboxylate
| Molecular Formula | C16H13BrN2O5 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 2.4262 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0008 |
| Heavy Atoms | 24 |
| Complexity | 761.318 |
Chemical Identifiers
| CAS Number | 745788-57-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br |
Product Overview
2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 745788-57-2), with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol. IUPAC: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate
Property Insights of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate
The XLogP value of 2.4262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate. Following Lipinski's Rule of Five, 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate 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 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate?
The CAS number of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate is 745788-57-2.
What is the molecular formula of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate?
The molecular formula of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate is C16H13BrN2O5.
What is the molecular weight of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate?
The molecular weight of 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate is 392.00 g/mol.
Where can I buy 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate?
You can request a quote for 2-((4-(Methoxycarbonyl)phenyl)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-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.