2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole
TL;DR: 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole (CAS 332380-87-7) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
Also Known As: BAS 01516789, 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole, 2-(4-Chloro-benzylsulfanyl)-5-m-tolyl-[1,3,4]oxadiazole, 2-[(4-chlorobenzyl)sulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole, 2-[(4-chlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.99072 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 740.0427 |
Chemical Identifiers
| CAS Number | 332380-87-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl |
Product Overview
2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole (CAS 332380-87-7), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole
Property Insights of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole
The XLogP value of 4.99072 indicates that 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-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 38.92 Ų, 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 4 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-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole?
The CAS number of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole is 332380-87-7.
What is the molecular formula of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole?
The molecular formula of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole is C16H13ClN2OS.
What is the molecular weight of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole?
The molecular weight of 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole is 316.04 g/mol.
Where can I buy 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole?
You can request a quote for 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-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-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)thio)-5-(m-tolyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.