TL;DR: Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- (CAS 135279-23-1) is a chemical compound with molecular formula C18H15ClN2OS2 and molecular weight 374.03143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-(4-chlorophenyl)-4-ethyl-5,7-dithia-13,14-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10-tetraen-12-one
Also Known As: Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro-, 2-(4-Chlorophenyl)-9-ethyl-5,6-dihydrothieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-Chlorophenyl)-9-ethyl-5,6-dihydrothieno[2',3':2,3]thiepino[4,5-c]pyridazin-3(2H)-one
| Molecular Formula | C18H15ClN2OS2 |
| Molecular Weight | 374.03143 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.03143 Da |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
| SMILES | CCC1=CC2=C(S1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl |
| InChIKey | XBOHQKXCRHALKS-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro-. Following Lipinski's Rule of Five, Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- is 135279-23-1.
The molecular formula of Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- is C18H15ClN2OS2.
The molecular weight of Thieno(2',3':2,3)thiepino(4,5-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-9-ethyl-5,6-dihydro- is 374.03143 g/mol.
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