methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate
TL;DR: methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate (CAS 74640-77-0) is a chemical compound with molecular formula C13H13NO6 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate
Also Known As: methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate, Methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxo-3H-1lambda~5~-indole-2-carboxylate
| Molecular Formula | C13H13NO6 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.07428 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 74640-77-0 |
|---|---|
| SMILES | COC(=O)C1=[N+](C2=CC=CC=C2C1C(C(=O)OC)O)[O-] |
| InChIKey | CAIXDWSEGYEVLC-UHFFFAOYSA-N |
Product Overview
methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate (CAS 74640-77-0), with molecular formula C13H13NO6 and molecular weight 279.07 g/mol. IUPAC: methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate.
Chemical Property Profile of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate
Property Insights of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-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 methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate?
The CAS number of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate is 74640-77-0.
What is the molecular formula of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate?
The molecular formula of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate is C13H13NO6.
What is the molecular weight of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate?
The molecular weight of methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate is 279.07 g/mol.
Where can I buy methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate?
You can request a quote for methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-1-oxido-3H-indol-1-ium-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.