(1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride
TL;DR: (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride (CAS 1052528-27-4) is a chemical compound with molecular formula C14H19ClFN3OS and molecular weight 331.09213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutan-1-amine;hydrochloride
Also Known As: (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride, (1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutan-1-amine hydrochloride
Technical Specifications
| Molecular Formula | C14H19ClFN3OS |
| Molecular Weight | 331.09213 g/mol |
| XLogP | 3.9687 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09213 Da |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
| SMILES | CCC(C)[C@@H](C1=NN=C(O1)SCC2=CC(=CC=C2)F)N.Cl |
| InChIKey | DUQHFQIKYFIHLU-RLOOEAFISA-N |
Chemical Property Profile of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride
Property Insights of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride
The XLogP value of 3.9687 indicates that (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride. Following Lipinski's Rule of Five, (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride?
The CAS number of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride is 1052528-27-4.
What is the molecular formula of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride?
The molecular formula of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride is C14H19ClFN3OS.
What is the molecular weight of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride?
The molecular weight of (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride is 331.09213 g/mol.
Where can I buy (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride?
You can request a quote for (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride?
Yes, CoreyChem provides custom synthesis services for (1S,2R)-1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylbutan-1-amine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.