2-Oxomelatonin
TL;DR: 2-Oxomelatonin (CAS 229018-17-1) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]acetamide
Also Known As: 2-Oxomelatonin, J2.915.921A, N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]acetamide, N-(2-(5-Methoxy-2-oxoindolin-3-yl)ethyl)acetamide, N-[2-(2-Oxo-5-methoxyindoline-3-yl)ethyl]acetamide
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.2571 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 485.12476 |
Chemical Identifiers
| CAS Number | 229018-17-1 |
|---|---|
| SMILES | CC(=O)NCCC1C2=C(C=CC(=C2)OC)NC1=O |
Product Overview
2-Oxomelatonin (CAS 229018-17-1), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]acetamide.
Chemical Property Profile of 2-Oxomelatonin
Property Insights of 2-Oxomelatonin
The XLogP value of 1.2571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxomelatonin. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxomelatonin. Following Lipinski's Rule of Five, 2-Oxomelatonin has 2 hydrogen bond donor(s) and 3 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-Oxomelatonin?
The CAS number of 2-Oxomelatonin is 229018-17-1.
What is the molecular formula of 2-Oxomelatonin?
The molecular formula of 2-Oxomelatonin is C13H16N2O3.
What is the molecular weight of 2-Oxomelatonin?
The molecular weight of 2-Oxomelatonin is 248.12 g/mol.
Where can I buy 2-Oxomelatonin?
You can request a quote for 2-Oxomelatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxomelatonin?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxomelatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.