5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one
TL;DR: 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one (CAS 69511-80-4) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-1-oxido-2-phenylindol-1-ium-3-one
Also Known As: 5,6-dimethoxy-1-oxido-2-phenyl-indol-3-one, 5,6-dimethoxy-1-oxido-2-phenylindol-1-ium-3-one, 5,6-Dimethoxy-1-oxo-2-phenyl-3H-1lambda~5~-indol-3-one
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 69511-80-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=C3)OC |
| InChIKey | IKSZKMFNGWQMHC-UHFFFAOYSA-N |
Product Overview
5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one (CAS 69511-80-4), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 5,6-dimethoxy-1-oxido-2-phenylindol-1-ium-3-one.
Chemical Property Profile of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one
Property Insights of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one. Following Lipinski's Rule of Five, 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one has 0 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 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one?
The CAS number of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one is 69511-80-4.
What is the molecular formula of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one?
The molecular formula of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one is C16H13NO4.
What is the molecular weight of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one?
The molecular weight of 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one is 283.08 g/mol.
Where can I buy 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one?
You can request a quote for 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethoxy-1-oxido-2-phenylindol-1-ium-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.