![5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline structure](/static/products/860/860786-77-2.png)
5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
TL;DR: 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CAS 860786-77-2) is a chemical compound with molecular formula C19H19F3N2O2S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfonyl-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
Also Known As: 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline, 5-benzylsulfonyl-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline, 5-phenylmethanesulfonyl-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline, 12W-0246, 5-phenylmethanesulfonyl-7-(trifluoromethyl)-1H,2H,3H,3aH,4H-pyrrolo[1,2-a]quinoxaline
| Molecular Formula | C19H19F3N2O2S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.0242 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11194 |
| Heavy Atoms | 27 |
| Complexity | 945.1723 |
Chemical Identifiers
| CAS Number | 860786-77-2 |
|---|---|
| SMILES | C1CC2CN(C3=C(N2C1)C=CC(=C3)C(F)(F)F)S(=O)(=O)CC4=CC=CC=C4 |
Product Overview
5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CAS 860786-77-2), with molecular formula C19H19F3N2O2S and molecular weight 396.11 g/mol. IUPAC: 5-benzylsulfonyl-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline.
Chemical Property Profile of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
Property Insights of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
The XLogP value of 4.0242 indicates that 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline 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
Frequently Asked Questions
What is the CAS number of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The CAS number of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is 860786-77-2.
What is the molecular formula of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The molecular formula of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is C19H19F3N2O2S.
What is the molecular weight of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The molecular weight of 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is 396.11 g/mol.
Where can I buy 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
You can request a quote for 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.