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7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
TL;DR: 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1009166-71-5) is a chemical compound with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(trifluoromethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
Also Known As: Bionet2_001364, 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one, J2.862.948F, 7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one, 11W-0200
| Molecular Formula | C12H11F3N2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.6263 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.08234 |
| Heavy Atoms | 18 |
| Complexity | 512.53424 |
Chemical Identifiers
| CAS Number | 1009166-71-5 |
|---|---|
| SMILES | C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(F)(F)F |
Product Overview
7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1009166-71-5), with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol. IUPAC: 7-(trifluoromethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.
Chemical Property Profile of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
Property Insights of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
The XLogP value of 2.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one. With a topological polar surface area (TPSA) of 32.34 Ų, 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, 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one has 1 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 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The CAS number of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 1009166-71-5.
What is the molecular formula of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The molecular formula of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is C12H11F3N2O.
What is the molecular weight of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
The molecular weight of 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 256.08 g/mol.
Where can I buy 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
You can request a quote for 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 7-(trifluoromethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 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.