Trifluromethylquinazolinone deriv. 33
TL;DR: Trifluromethylquinazolinone deriv. 33 (CAS 21501-04-2) is a chemical compound with molecular formula C17H9F5N2O and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Also Known As: Trifluromethylquinazolinone deriv. 33, 2(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(phenylethynyl)-4-(trifluoromethyl)-, 5,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one, 5,6-difluoro-4-(phenylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one, 2(1H)-Quinazolinone,5,6-difluoro-3,4-dihydro-4-(2-phenylethynyl)-4-(trifluoromethyl)-
| Molecular Formula | C17H9F5N2O |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.0635 |
| Heavy Atoms | 25 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 21501-04-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F |
| InChIKey | AXPZCYNWMKYLLF-UHFFFAOYSA-N |
Product Overview
Trifluromethylquinazolinone deriv. 33 (CAS 21501-04-2), with molecular formula C17H9F5N2O and molecular weight 352.06 g/mol. IUPAC: 5,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one.
Chemical Property Profile of Trifluromethylquinazolinone deriv. 33
Property Insights of Trifluromethylquinazolinone deriv. 33
The XLogP value of 3.7 indicates that Trifluromethylquinazolinone deriv. 33 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Trifluromethylquinazolinone deriv. 33 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluromethylquinazolinone deriv. 33 has 2 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 Trifluromethylquinazolinone deriv. 33?
The CAS number of Trifluromethylquinazolinone deriv. 33 is 21501-04-2.
What is the molecular formula of Trifluromethylquinazolinone deriv. 33?
The molecular formula of Trifluromethylquinazolinone deriv. 33 is C17H9F5N2O.
What is the molecular weight of Trifluromethylquinazolinone deriv. 33?
The molecular weight of Trifluromethylquinazolinone deriv. 33 is 352.06 g/mol.
Where can I buy Trifluromethylquinazolinone deriv. 33?
You can request a quote for Trifluromethylquinazolinone deriv. 33 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluromethylquinazolinone deriv. 33?
Yes, KEHONG BIO provides custom synthesis services for Trifluromethylquinazolinone deriv. 33 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.