TL;DR: UC-38 deriv. (CAS 165549-91-7) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.0645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-chloro-5-(propan-2-yloxycarbothioylamino)phenyl] propan-2-yl carbonate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Carbonic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)phenyl 1-methylethyl ester, [2-chloro-5-(isopropoxycarbothioylamino)phenyl] isopropyl carbonate, [2-chloro-5-(propan-2-yloxycarbothioylamino)phenyl] propan-2-yl carbonate
| Molecular Formula | C14H18ClNO4S |
| Molecular Weight | 331.0645 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.0645 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OC(=O)OC(C)C |
| InChIKey | AQSIBZSWJPOYIN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 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 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of UC-38 deriv. is 165549-91-7.
The molecular formula of UC-38 deriv. is C14H18ClNO4S.
The molecular weight of UC-38 deriv. is 331.0645 g/mol.
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