TL;DR: ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate (CAS 898622-27-0) is a chemical compound with molecular formula C18H24N8O2S and molecular weight 416.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(13-ethyl-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaen-8-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
| Molecular Formula | C18H24N8O2S |
| Molecular Weight | 416.1743 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1743 Da |
| Heavy Atoms | 29 |
| Complexity | 606.0 |
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=NC4=NN=NN34)N5CCN(CC5)C(=O)OCC |
| InChIKey | OJRJEODWVCQYIP-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate is 898622-27-0.
The molecular formula of ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate is C18H24N8O2S.
The molecular weight of ethyl 4-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate is 416.1743 g/mol.
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