3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
TL;DR: 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (CAS 53959-49-2) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
Also Known As: (3Z)-3-(5-methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-oc, 3-(5-methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 53959-49-2 |
|---|---|
| SMILES | CC1CC(=C2C(=O)NC3CCCCC3N2)C(=O)O1 |
| InChIKey | IQQQUQQHKQYILQ-UHFFFAOYSA-N |
Product Overview
3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (CAS 53959-49-2), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 3-(5-methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one.
Chemical Property Profile of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
Property Insights of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one. Following Lipinski's Rule of Five, 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one has 2 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 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The CAS number of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is 53959-49-2.
What is the molecular formula of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The molecular formula of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is C13H18N2O3.
What is the molecular weight of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The molecular weight of 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is 250.13 g/mol.
Where can I buy 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
You can request a quote for 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Methyl-2-oxooxolan-3-ylidene)-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.