1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- (CAS 78613-15-7) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(1,2-Bis(3,4-dimethoxyphenyl)ethyl)-1,3,4-oxadiazole-2(3H)-thione, 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-, 5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione, I14-13928, 5-[1,2-Bis(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-thiol
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.14119 |
| Topological Polar Surface Area | 78.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 998.2563 |
Chemical Identifiers
| CAS Number | 78613-15-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C3=NNC(=S)O3)OC |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- (CAS 78613-15-7), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: 5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-
The XLogP value of 4.14119 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- has 1 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 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- is 78613-15-7.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- is C20H22N2O5S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- is 402.12 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-(1,2-bis(3,4-dimethoxyphenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.