TL;DR: 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- (CAS 137052-86-9) is a chemical compound with molecular formula C19H17ClN2S and molecular weight 340.0801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-chlorophenyl)-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene
Also Known As: 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)-, 5,6-Dihydro-6-(3-chlorophenyl)-2,3-propano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 4-(3-Chlorophenyl)-5,6,8,9-tetrahydro-4H,7H-cyclopenta[4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 7-(3-chlorophenyl)-16-thia-2,8-diazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,11(15)-tetraene
| Molecular Formula | C19H17ClN2S |
| Molecular Weight | 340.0801 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.0801 Da |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
| SMILES | C1CC2=C(C1)SC3=C2CNC(C4=CC=CN43)C5=CC(=CC=C5)Cl |
| InChIKey | JHSNKUBDQIWQOK-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- is 137052-86-9.
The molecular formula of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- is C19H17ClN2S.
The molecular weight of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(3-chlorophenyl)- is 340.0801 g/mol.
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