4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-
TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- (CAS 137731-28-3) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylsulfanyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-, 5-(Methylthio)-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 1-Phenyl-5-(methylthio)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 5-methylsulfanyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 5-(Methylsulfanyl)-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Technical Specifications
| Molecular Formula | C17H14N4S |
| Molecular Weight | 306.0939 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0939 Da |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
| SMILES | CSC1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1 |
| InChIKey | OOJFAKVWPFTWEW-UHFFFAOYSA-N |
Chemical Property Profile of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-
Property Insights of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-. Following Lipinski's Rule of Five, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-?
The CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- is 137731-28-3.
What is the molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-?
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- is C17H14N4S.
What is the molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-?
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- is 306.0939 g/mol.
Where can I buy 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-?
You can request a quote for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(methylthio)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.