1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)
TL;DR: 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) (CAS 134249-09-5) is a chemical compound with molecular formula C25H18ClFN4O3S and molecular weight 508.0772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1), 1H-1lambda~6~,2-Benzothiazole-1,1,3(2H)-trione--8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine (1/1), 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 1,1-dioxo-1,2-benzothiazol-3-one, 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;1,1-dioxo-1,2-benzothiazol-3-one
Technical Specifications
| Molecular Formula | C25H18ClFN4O3S |
| Molecular Weight | 508.0772 g/mol |
| XLogP | 4.44292 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 508.0772 Da |
| Heavy Atoms | 35 |
| Complexity | 774.0 |
| SMILES | CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.C1=CC=C2C(=C1)C(=O)NS2(=O)=O |
| InChIKey | AOWJJLRMKAQRHV-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)
Property Insights of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)
The XLogP value of 4.44292 indicates that 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1). Following Lipinski's Rule of Five, 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)?
The CAS number of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) is 134249-09-5.
What is the molecular formula of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)?
The molecular formula of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) is C25H18ClFN4O3S.
What is the molecular weight of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)?
The molecular weight of 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) is 508.0772 g/mol.
Where can I buy 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)?
You can request a quote for 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1)?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzisohiazol-3(2H)-one, 1,1-dioxide, compd. with 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.