4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-
TL;DR: 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- (CAS 49579-53-5) is a chemical compound with molecular formula C17H12F4N2S and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
Also Known As: 5-24-03-00288 (Beilstein Handbook Reference), 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-, 2-Ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-4(3H)-quinazolinethione, 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione, 2-Ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4(3H)-thione
| Molecular Formula | C17H12F4N2S |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.06573 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 49579-53-5 |
|---|---|
| SMILES | CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | CKSSTIGZPWHKLY-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- (CAS 49579-53-5), with molecular formula C17H12F4N2S and molecular weight 352.07 g/mol. IUPAC: 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione.
Chemical Property Profile of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-
Property Insights of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-
The XLogP value of 4.5 indicates that 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 6 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 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-?
The CAS number of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- is 49579-53-5.
What is the molecular formula of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- is C17H12F4N2S.
What is the molecular weight of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- is 352.07 g/mol.
Where can I buy 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinethione, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.