![5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one structure](/static/products/1030/1030939-22-0.webp)
5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one
TL;DR: 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one (CAS 1030939-22-0) is a chemical compound with molecular formula C18H14F4N2OS and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-fluorophenyl)methyl]-7-(trifluoromethyl)-3,3a-dihydro-1H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
Also Known As: 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one, 5-[(3-fluorophenyl)methyl]-7-(trifluoromethyl)-3,3a-dihydro-1H-[1,3]thiazolo[3,4-a]quinoxalin-4-one, 5-[(3-fluorophenyl)methyl]-7-(trifluoromethyl)-1H,3H,3aH,4H,5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one, 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro-1H-thiazolo[3,4-a]quinoxalin-4-one, 5-[(3-fluorophenyl)methyl]-7-(trifluoromethyl)-3,3a-dihydro-1H-thiazolo[3,4-a]quinoxalin-4-one
| Molecular Formula | C18H14F4N2OS |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 4.2706 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.0763 |
| Heavy Atoms | 26 |
| Complexity | 870.5099 |
Chemical Identifiers
| CAS Number | 1030939-22-0 |
|---|---|
| SMILES | C1C2C(=O)N(C3=C(N2CS1)C=CC(=C3)C(F)(F)F)CC4=CC(=CC=C4)F |
Product Overview
5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one (CAS 1030939-22-0), with molecular formula C18H14F4N2OS and molecular weight 382.08 g/mol. IUPAC: 5-[(3-fluorophenyl)methyl]-7-(trifluoromethyl)-3,3a-dihydro-1H-[1,3]thiazolo[3,4-a]quinoxalin-4-one.
Chemical Property Profile of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one
Property Insights of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one
The XLogP value of 4.2706 indicates that 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-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-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one 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-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one?
The CAS number of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is 1030939-22-0.
What is the molecular formula of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one?
The molecular formula of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is C18H14F4N2OS.
What is the molecular weight of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one?
The molecular weight of 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one is 382.08 g/mol.
Where can I buy 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one?
You can request a quote for 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-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-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-fluorobenzyl)-7-(trifluoromethyl)-3,3a-dihydro[1,3]thiazolo[3,4-a]quinoxalin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.