2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide
TL;DR: 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide (CAS 152860-48-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxido-3-phenyl-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
Also Known As: 2-phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide, AB00081409-01, 4a,5,6,7,8,8a-Hexahydro-3-phenylquinoxaline 1,4-dioxide, 4-oxido-3-phenyl-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide, 2-PHENYL-4A,5,6,7,8,8A-HEXAHYDROQUINOXALINE-1,4-DIIUM-1,4-BIS(OLATE)
Technical Specifications
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | C1CCC2C(C1)N(C(=C[N+]2=O)C3=CC=CC=C3)[O-] |
| InChIKey | HHSCFCYOSJBGHY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide
Property Insights of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide. With a topological polar surface area (TPSA) of 46.4 Ų, 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide?
The CAS number of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide is 152860-48-5.
What is the molecular formula of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide?
The molecular formula of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide is C14H16N2O2.
What is the molecular weight of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide?
The molecular weight of 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide is 244.12119 g/mol.
Where can I buy 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide?
You can request a quote for 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-4a,5,6,7,8,8a-hexahydroquinoxaline 1,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.