![2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole structure](/static/products/104/1049727-24-3.png)
2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole (CAS 1049727-24-3) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Also Known As: BRD-K50138886-003-07-2, 2-(2-Chloro-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole, 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole, 2-[(2-chlorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole, 2-[(2-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.4398 |
| Topological Polar Surface Area | 50.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 554.3263 |
Chemical Identifiers
| CAS Number | 1049727-24-3 |
|---|---|
| SMILES | C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=CC=C3Cl |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole (CAS 1049727-24-3), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
The XLogP value of 3.4398 indicates that 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.95 Ų, 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole has 1 hydrogen bond donor(s) and 5 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 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is 1049727-24-3.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is C13H14ClN3OS.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is 295.05 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.