TL;DR: 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 384803-58-1) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-cyclohexyl-3,12,12-trimethyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 4-cyclohexyl-1,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7-CYCLOHEXYL-3,12,12-TRIMETHYL-13-OXA-16-THIA-2,4,5,7-TETRAAZATETRACYCLO[7.7.0.0(2),?.0(1)?,(1)?]HEXADECA-1(9),3,5,10(15)-TETRAEN-8-ONE
| Molecular Formula | C19H24N4O2S |
| Molecular Weight | 372.162 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.162 Da |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5CCCCC5 |
| InChIKey | HVUWKEZJAGLYTC-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 384803-58-1.
The molecular formula of 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is C19H24N4O2S.
The molecular weight of 4-cyclohexyl-1,7,7-trimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 372.162 g/mol.
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