TL;DR: SC 45662 (CAS 135133-84-5) is a chemical compound with molecular formula C20H32O4S and molecular weight 368.20212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid
Also Known As: SC 45662, (2-((3,5-Di-t-butyl-4-hydroxyphenyl)thio)-1-methylpropoxy)acetic acid, 2-[(2R,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid, 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yloxy]acetic acid, Acetic acid, (2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)-1-methylpropoxy)-
| Molecular Formula | C20H32O4S |
| Molecular Weight | 368.20212 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.20212 Da |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
| SMILES | C[C@H]([C@H](C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC(=O)O |
| InChIKey | ADVNUIUADIXWMI-OLZOCXBDSA-N |
The XLogP value of 5.7 indicates that SC 45662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for SC 45662. Following Lipinski's Rule of Five, SC 45662 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of SC 45662 is 135133-84-5.
The molecular formula of SC 45662 is C20H32O4S.
The molecular weight of SC 45662 is 368.20212 g/mol.
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