![tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate structure](/static/products/116/1164528-68-0.png)
tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
TL;DR: tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate (CAS 1164528-68-0) is a chemical compound with molecular formula C18H21Cl2N3O3S and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate, (2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester, tert-butyl (2S)-2-{5-[(2,4-dichlorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyrrolidine-1-carboxylate, tert-butyl (2S)-2-{5-[(2,4-dichlorophenyl)methylthio](1,3,4-oxadiazol-2-yl)}py rrolidinecarboxylate, TERT-BUTYL 2-(5-{[(2,4-DICHLOROPHENYL)METHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)PYRROLIDINE-1-CARBOXYLATE
| Molecular Formula | C18H21Cl2N3O3S |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.06805 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 1164528-68-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | JDZKHMFWSIVDHP-AWEZNQCLSA-N |
Product Overview
tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate (CAS 1164528-68-0), with molecular formula C18H21Cl2N3O3S and molecular weight 429.07 g/mol. IUPAC: tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Property Insights of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
The XLogP value of 4.6 indicates that tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate has 0 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 tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate?
The CAS number of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate is 1164528-68-0.
What is the molecular formula of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate?
The molecular formula of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate is C18H21Cl2N3O3S.
What is the molecular weight of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate?
The molecular weight of tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate is 429.07 g/mol.
Where can I buy tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate?
You can request a quote for tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S)-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.