TL;DR: C23H26N8O4S (CAS 1009186-08-6) is a chemical compound with molecular formula C23H26N8O4S and molecular weight 510.17978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-1-[2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate
Also Known As: diethyl 1,1'-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4-diyl)bis(5-amino-1H-pyrazole-4-carboxylate), diethyl 1,1'-(7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4-diyl)bis(5-amino-1H-pyrazole-4-carboxylate), ethyl 5-amino-1-[2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate, C23H26N8O4S
| Molecular Formula | C23H26N8O4S |
| Molecular Weight | 510.17978 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.17978 Da |
| Heavy Atoms | 36 |
| Complexity | 825.0 |
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CC(CC4)C)SC3=NC(=N2)N5C(=C(C=N5)C(=O)OCC)N)N |
| InChIKey | PXJKIKRMFKWNLJ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that C23H26N8O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting C23H26N8O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H26N8O4S has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C23H26N8O4S is 1009186-08-6.
The molecular formula of C23H26N8O4S is C23H26N8O4S.
The molecular weight of C23H26N8O4S is 510.17978 g/mol.
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