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[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
TL;DR: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate (CAS 732998-80-0) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate|2-(2-Methyl-1H-indol-3-yl)-2-oxoethyl 1-oxo-1lambda~5~-pyridine-3-carboxylate|MLS001033200|SMR000363676
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.14942 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 898.4997 |
Chemical Identifiers
| CAS Number | 732998-80-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C[N+](=CC=C3)[O-] |
Product Overview
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate (CAS 732998-80-0), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
Property Insights of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
The XLogP value of 2.14942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate. Following Lipinski's Rule of Five, [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-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-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate?
The CAS number of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate is 732998-80-0.
What is the molecular formula of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate?
The molecular formula of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate is C17H14N2O4.
What is the molecular weight of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate?
The molecular weight of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate is 310.10 g/mol.
Where can I buy [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate?
You can request a quote for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-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-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.