Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester
TL;DR: Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester (CAS 78613-17-9) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: Ethyl ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetate, Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester, Ethyl {[5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate, ethyl 2-[[5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, RefChem:316012
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.0994 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 821.3423 |
Chemical Identifiers
| CAS Number | 78613-17-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C(CC2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester (CAS 78613-17-9), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: ethyl 2-[[5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester
Property Insights of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester
The XLogP value of 4.0994 indicates that Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester 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 Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester?
The CAS number of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester is 78613-17-9.
What is the molecular formula of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester is C20H20N2O3S.
What is the molecular weight of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester is 368.12 g/mol.
Where can I buy Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.