TL;DR: UC-38 deriv. (CAS 165549-84-8) is a chemical compound with molecular formula C14H16ClNO3S and molecular weight 313.05396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2-propenyl ester, allyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate, prop-2-enyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
| Molecular Formula | C14H16ClNO3S |
| Molecular Weight | 313.05396 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.05396 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC=C |
| InChIKey | PZGIGMIGDQNHOR-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 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 165549-84-8.
The molecular formula of UC-38 deriv. is C14H16ClNO3S.
The molecular weight of UC-38 deriv. is 313.05396 g/mol.
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