1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 690968-68-4) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: BAS 06981919, 1-(4-methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone, VU0496243-1, F2755-0044, AP-853/42160206
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.1152 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 787.84485 |
Chemical Identifiers
| CAS Number | 690968-68-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
Product Overview
1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 690968-68-4), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 3.1152 indicates that 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone 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 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 690968-68-4.
What is the molecular formula of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C16H13N3O3S.
What is the molecular weight of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 327.07 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.