TL;DR: Ent 27294 (CAS 1081-95-4) is a chemical compound with molecular formula C9H19O3PS3 and molecular weight 302.0234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethoxyphosphorylsulfanylmethyl)-2-methyl-1,3-dithiolane
Also Known As: Stauffer B-10423, ENT 27,294, ENT 27294, 2-(diethoxyphosphorylsulfanylmethyl)-2-methyl-1,3-dithiolane, B-10423
| Molecular Formula | C9H19O3PS3 |
| Molecular Weight | 302.0234 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.0234 Da |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
| SMILES | CCOP(=O)(OCC)SCC1(SCCS1)C |
| InChIKey | APVJSTCJOJGSPI-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ent 27294. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ent 27294. Following Lipinski's Rule of Five, Ent 27294 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ent 27294 is 1081-95-4.
The molecular formula of Ent 27294 is C9H19O3PS3.
The molecular weight of Ent 27294 is 302.0234 g/mol.
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