Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
TL;DR: Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate (CAS 61560-11-0) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate
Also Known As: Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate, Ethyl (+-)-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate, Propanoic acid, 2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, ethyl ester, (+-)-, ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate, Ethyl 2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}propanoate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.9214 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 556.55646 |
Chemical Identifiers
| CAS Number | 61560-11-0 |
|---|---|
| SMILES | CCOC(=O)C(C)SCC1=NC(=NO1)C2=CC=CC=C2 |
Product Overview
Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate (CAS 61560-11-0), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
Property Insights of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate
The XLogP value of 2.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate. Following Lipinski's Rule of Five, Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate 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 Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The CAS number of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is 61560-11-0.
What is the molecular formula of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The molecular formula of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is C14H16N2O3S.
What is the molecular weight of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
The molecular weight of Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate is 292.09 g/mol.
Where can I buy Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
You can request a quote for Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.