![5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one structure](/static/products/1009/1009537-73-8.webp)
5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
TL;DR: 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1009537-73-8) is a chemical compound with molecular formula C20H19F3N2O and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
Also Known As: 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one, 11W-0301, 5-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one, 5-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one, yrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-5-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-
| Molecular Formula | C20H19F3N2O |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 4.52942 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.14496 |
| Heavy Atoms | 26 |
| Complexity | 845.12506 |
Chemical Identifiers
| CAS Number | 1009537-73-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(F)(F)F)N4CCCC4C2=O |
Product Overview
5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1009537-73-8), with molecular formula C20H19F3N2O and molecular weight 360.14 g/mol. IUPAC: 5-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one.
Chemical Property Profile of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
Property Insights of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
The XLogP value of 4.52942 indicates that 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one has 0 hydrogen bond donor(s) and 2 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-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The CAS number of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 1009537-73-8.
What is the molecular formula of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The molecular formula of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is C20H19F3N2O.
What is the molecular weight of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The molecular weight of 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 360.14 g/mol.
Where can I buy 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
You can request a quote for 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylbenzyl)-7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.