2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
TL;DR: 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CAS 197371-67-8) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole
Also Known As: 2-(benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole, BAS 01337666, 2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole, BRD-K52476407-001-01-1, BRD-K52476407-001-02-9
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 197371-67-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC=C3 |
| InChIKey | IHFLZRDDOQFEPG-UHFFFAOYSA-N |
Product Overview
2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CAS 197371-67-8), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
Property Insights of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
The XLogP value of 3.0 indicates that 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has 0 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-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The CAS number of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is 197371-67-8.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The molecular formula of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is C16H14N2O2S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The molecular weight of 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is 298.08 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
You can request a quote for 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-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-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.