2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
TL;DR: 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 336181-28-3) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Also Known As: 2-(benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 2-benzylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 2-(benzylthio)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.0547 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 811.0974 |
Chemical Identifiers
| CAS Number | 336181-28-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=CC=C3 |
Product Overview
2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 336181-28-3), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 2-benzylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Property Insights of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
The XLogP value of 4.0547 indicates that 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 7 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-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The CAS number of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 336181-28-3.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular formula of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is C18H18N2O4S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular weight of 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 358.10 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
You can request a quote for 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.