Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
TL;DR: Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 338968-09-5) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate, 6L-614S, Ethyl 2-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, ethyl2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 3.1137 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 586.5002 |
Chemical Identifiers
| CAS Number | 338968-09-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C2=CC=CC=C2SC |
Product Overview
Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate (CAS 338968-09-5), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: ethyl 2-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
Property Insights of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
The XLogP value of 3.1137 indicates that Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate 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 Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate 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 Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The CAS number of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 338968-09-5.
What is the molecular formula of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular formula of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is C13H14N2O3S2.
What is the molecular weight of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
The molecular weight of Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate is 310.04 g/mol.
Where can I buy Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
You can request a quote for Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.