2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
TL;DR: 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine (CAS 159538-12-2) is a chemical compound with molecular formula C14H9F3N2S and molecular weight 294.04385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-thiophen-2-yl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Also Known As: DivK1c_004250, CDS1_003210, 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine, 2-(thiophen-2-yl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine, 2-thiophen-2-yl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Technical Specifications
| Molecular Formula | C14H9F3N2S |
| Molecular Weight | 294.04385 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.04385 Da |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
| SMILES | C1C(=NC2=CC=CC=C2N=C1C(F)(F)F)C3=CC=CS3 |
| InChIKey | YEYJVNQDRAOQDL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Property Insights of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine
The XLogP value of 4.1 indicates that 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine 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
What is the CAS number of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The CAS number of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is 159538-12-2.
What is the molecular formula of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The molecular formula of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is C14H9F3N2S.
What is the molecular weight of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
The molecular weight of 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine is 294.04385 g/mol.
Where can I buy 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
You can request a quote for 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine?
Yes, CoreyChem provides custom synthesis services for 2-(2-Thienyl)-4-(trifluoromethyl)-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.