2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole
TL;DR: 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole (CAS 892679-51-5) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole
Also Known As: 2-(benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole, 2-benzylsulfanyl-5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.9699 |
| Topological Polar Surface Area | 57.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 789.9678 |
Chemical Identifiers
| CAS Number | 892679-51-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC=C3)OC |
Product Overview
2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole (CAS 892679-51-5), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 2-benzylsulfanyl-5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole
Property Insights of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole
The XLogP value of 3.9699 indicates that 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-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 57.38 Ų, 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole 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 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole?
The CAS number of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole is 892679-51-5.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole?
The molecular formula of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole is C18H18N2O3S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole?
The molecular weight of 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole is 342.10 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole?
You can request a quote for 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-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-dimethoxybenzyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.