TL;DR: 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one (CAS 153258-17-4) is a chemical compound with molecular formula C20H16N2OS and molecular weight 332.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Also Known As: J3.281.703C, 7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one, 7-Phenyl-10-thia-7a,11-diaza-6,7-dihydro-5H-cyclopenta[b]phenanthrene-8(9H)-one, 7-phenyl-5,7-dihydro-6h-10-thia-7a,11-diaza-cyclopenta[b]phenanthren-8-one
| Molecular Formula | C20H16N2OS |
| Molecular Weight | 332.09833 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.09833 Da |
| Heavy Atoms | 24 |
| Complexity | 605.0 |
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5)C(=O)CS4 |
| InChIKey | MAGIISGXNRAQOZ-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one is 153258-17-4.
The molecular formula of 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one is C20H16N2OS.
The molecular weight of 7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one is 332.09833 g/mol.
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