![(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester structure](/static/products/1044/104496-93-7.webp)
(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester
TL;DR: (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester (CAS 104496-93-7) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
Also Known As: BAS 03574485, (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester, ethyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate, ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-ylthio)acetate, ethyl 2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetate
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 104496-93-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C2=CC=CC=C2 |
| InChIKey | MHMFGXVFMSHKEE-UHFFFAOYSA-N |
Product Overview
(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester (CAS 104496-93-7), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: ethyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester
Property Insights of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid 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 (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester?
The CAS number of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester is 104496-93-7.
What is the molecular formula of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular formula of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester is C12H12N2O3S.
What is the molecular weight of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular weight of (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester is 264.06 g/mol.
Where can I buy (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester?
You can request a quote for (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.