(S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride
TL;DR: (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride (CAS 1052520-50-9) is a chemical compound with molecular formula C13H15Cl2N3OS and molecular weight 331.03128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
Also Known As: (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride, 2-((2S)pyrrolidin-2-yl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole, chlor ide, 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole hydrochloride
Technical Specifications
| Molecular Formula | C13H15Cl2N3OS |
| Molecular Weight | 331.03128 g/mol |
| XLogP | 3.8616 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.03128 Da |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
| SMILES | C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl.Cl |
| InChIKey | UQBAVTULSZGPDA-MERQFXBCSA-N |
Chemical Property Profile of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride
Property Insights of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride
The XLogP value of 3.8616 indicates that (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride. Following Lipinski's Rule of Five, (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride?
The CAS number of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride is 1052520-50-9.
What is the molecular formula of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride?
The molecular formula of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride is C13H15Cl2N3OS.
What is the molecular weight of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride?
The molecular weight of (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride is 331.03128 g/mol.
Where can I buy (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride?
You can request a quote for (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride?
Yes, CoreyChem provides custom synthesis services for (S)-2-((4-chlorobenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.