![2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate structure](/static/products/938/938554-09-7.png)
2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
TL;DR: 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate (CAS 938554-09-7) is a chemical compound with molecular formula C16H15BrN2O5 and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: [(3,4-dimethoxyphenyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate|F6609-1835|[2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate|2-((3,4-dimethoxyphenyl)amino)-2-oxoethyl 5-bromonicotinate|2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
| Molecular Formula | C16H15BrN2O5 |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 2.6568 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.01642 |
| Heavy Atoms | 24 |
| Complexity | 750.9977 |
Chemical Identifiers
| CAS Number | 938554-09-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br)OC |
Product Overview
2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate (CAS 938554-09-7), with molecular formula C16H15BrN2O5 and molecular weight 394.02 g/mol. IUPAC: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
Property Insights of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate
The XLogP value of 2.6568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate 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-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The CAS number of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is 938554-09-7.
What is the molecular formula of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular formula of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is C16H15BrN2O5.
What is the molecular weight of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular weight of 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate is 394.02 g/mol.
Where can I buy 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
You can request a quote for 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dimethoxyphenyl)amino]-2-oxoethyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.