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3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
TL;DR: 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one (CAS 77784-62-4) is a chemical compound with molecular formula C19H14F3N3O and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
Also Known As: 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one, 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-o, 3-[2-(1H-Indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4(3H)-one, RefChem:854898
| Molecular Formula | C19H14F3N3O |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1089 |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 77784-62-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=CC=CC=C4N=C3C(F)(F)F |
| InChIKey | ABBNVHRKXQBPTQ-UHFFFAOYSA-N |
Product Overview
3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one (CAS 77784-62-4), with molecular formula C19H14F3N3O and molecular weight 357.11 g/mol. IUPAC: 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one.
Chemical Property Profile of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
Property Insights of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one
The XLogP value of 4.1 indicates that 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one has 1 hydrogen bond donor(s) and 5 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 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one?
The CAS number of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one is 77784-62-4.
What is the molecular formula of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one?
The molecular formula of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one is C19H14F3N3O.
What is the molecular weight of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one?
The molecular weight of 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one is 357.11 g/mol.
Where can I buy 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one?
You can request a quote for 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.