Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 896376-66-2) 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.
benzyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
Also Known As: VU0497658-1, benzyl 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate, benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate, F2771-0060, benzyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.9671 |
| 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 | 762.5112 |
Chemical Identifiers
| CAS Number | 896376-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
Product Overview
Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 896376-66-2), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: benzyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 2.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)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 Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is 896376-66-2.
What is the molecular formula of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is C16H13N3O3S.
What is the molecular weight of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is 327.07 g/mol.
Where can I buy Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.