4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-
TL;DR: 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- (CAS 111596-99-7) is a chemical compound with molecular formula C17H13ClN4 and molecular weight 308.0829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(chloromethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Also Known As: 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-, 8-Chloromethyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine, 8-(chloromethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H13ClN4 |
| Molecular Weight | 308.0829 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0829 Da |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
| SMILES | C1C2=NN=CN2C3=C(C=C(C=C3)CCl)C(=N1)C4=CC=CC=C4 |
| InChIKey | YPSSNILDDIBNFQ-UHFFFAOYSA-N |
Chemical Property Profile of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-
Property Insights of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-. With a topological polar surface area (TPSA) of 43.1 Ų, 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- has 0 hydrogen bond donor(s) and 3 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-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-?
The CAS number of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- is 111596-99-7.
What is the molecular formula of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-?
The molecular formula of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- is C17H13ClN4.
What is the molecular weight of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-?
The molecular weight of 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- is 308.0829 g/mol.
Where can I buy 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-?
You can request a quote for 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl-?
Yes, CoreyChem provides custom synthesis services for 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloromethyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.