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[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
TL;DR: [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CAS 561027-72-3) is a chemical compound with molecular formula C16H11BrN2O3 and molecular weight 358.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: 2-(1H-Indol-3-yl)-2-oxoethyl 5-bromonicotinate, [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate, 2-(1H-indol-3-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
| Molecular Formula | C16H11BrN2O3 |
|---|---|
| Molecular Weight | 358.00 g/mol |
| LogP | 3.3651 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.9953 |
| Heavy Atoms | 22 |
| Complexity | 857.228 |
Chemical Identifiers
| CAS Number | 561027-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC(=CN=C3)Br |
Product Overview
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CAS 561027-72-3), with molecular formula C16H11BrN2O3 and molecular weight 358.00 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Property Insights of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
The XLogP value of 3.3651 indicates that [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate 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-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The CAS number of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is 561027-72-3.
What is the molecular formula of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The molecular formula of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is C16H11BrN2O3.
What is the molecular weight of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The molecular weight of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is 358.00 g/mol.
Where can I buy [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
You can request a quote for [2-(1H-indol-3-yl)-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-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.