RefChem:1099254
TL;DR: RefChem:1099254 (CAS 36961-43-0) is a chemical compound with molecular formula C17H15F3N2O6S and molecular weight 432.0603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hydrogen sulfate;1-methyl-5-phenyl-7-(trifluoromethoxy)-3H-1,4-benzodiazepin-4-ium-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-methyl-5-phenyl-7-trifluoromethoxy-, bisulfate, 1,3-Dihydro-1-methyl-5-phenyl-7-trifluoromethoxy-2H-1,4-benzodiazepin-2-one bisulfate, hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one, hydrogen sulfate;1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one, Sulfuric acid--1-methyl-5-phenyl-7-(trifluoromethoxy)-1,3-dihydro-2H-1,4-benzodiazepin-2-one (1/1)
Technical Specifications
| Molecular Formula | C17H15F3N2O6S |
| Molecular Weight | 432.0603 g/mol |
| XLogP | 0.48 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.0603 Da |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
| SMILES | CN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)OC(F)(F)F)C3=CC=CC=C3.OS(=O)(=O)[O-] |
| InChIKey | UOZGNBFVFUDILK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1099254
Property Insights of RefChem:1099254
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099254. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099254. Following Lipinski's Rule of Five, RefChem:1099254 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1099254?
The CAS number of RefChem:1099254 is 36961-43-0.
What is the molecular formula of RefChem:1099254?
The molecular formula of RefChem:1099254 is C17H15F3N2O6S.
What is the molecular weight of RefChem:1099254?
The molecular weight of RefChem:1099254 is 432.0603 g/mol.
Where can I buy RefChem:1099254?
You can request a quote for RefChem:1099254 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1099254?
Yes, CoreyChem provides custom synthesis services for RefChem:1099254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.