(S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 1164539-91-6) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 1-(4-CHLOROPHENYL)-2-{[5-(PYRROLIDIN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 1164539-91-6 |
|---|---|
| SMILES | C1C[C@H](NC1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | JSSYVYCZAYIYLB-NSHDSACASA-N |
Product Overview
(S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 1164539-91-6), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 1164539-91-6.
What is the molecular formula of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C14H14ClN3O2S.
What is the molecular weight of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 323.05 g/mol.
Where can I buy (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-(4-chlorophenyl)-2-((5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.