TL;DR: UC-38 deriv. (CAS 165549-79-1) is a chemical compound with molecular formula C14H18ClNO2S2 and molecular weight 331.04675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-propan-2-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzenecarbothioate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzenecarbothioic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, S-(1-methylethyl), S-isopropyl 2-chloro-5-(isopropoxycarbothioylamino)benzenecarbothioate, S-(Propan-2-yl) 2-chloro-5-({[(propan-2-yl)oxy]carbonothioyl}amino)benzene-1-carbothioate
| Molecular Formula | C14H18ClNO2S2 |
| Molecular Weight | 331.04675 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.04675 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)SC(C)C |
| InChIKey | LHTSLYQNIDQCQV-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UC-38 deriv.. Following Lipinski's Rule of Five, UC-38 deriv. has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of UC-38 deriv. is 165549-79-1.
The molecular formula of UC-38 deriv. is C14H18ClNO2S2.
The molecular weight of UC-38 deriv. is 331.04675 g/mol.
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