TL;DR: UC-38 deriv. (CAS 165549-89-3) is a chemical compound with molecular formula C13H16ClNOS2 and molecular weight 301.0362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-propan-2-yl N-(4-chloro-3-prop-2-enylsulfanylphenyl)carbamothioate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Carbamothioic acid, (4-chloro-3-(2-propenylthio)phenyl)-, O-(1-methylethyl) ester, O-isopropyl N-(3-allylsulfanyl-4-chloro-phenyl)carbamothioate, O-propan-2-yl N-(4-chloro-3-prop-2-enylsulfanylphenyl)carbamothioate
| Molecular Formula | C13H16ClNOS2 |
| Molecular Weight | 301.0362 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0362 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)SCC=C |
| InChIKey | HJVXCCXIBQDGCY-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 78.7 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 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of UC-38 deriv. is 165549-89-3.
The molecular formula of UC-38 deriv. is C13H16ClNOS2.
The molecular weight of UC-38 deriv. is 301.0362 g/mol.
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