![[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate structure](/static/products/7945/794543-48-9.webp)
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
TL;DR: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (CAS 794543-48-9) is a chemical compound with molecular formula C17H16N4O6S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
Also Known As: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate|[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl {[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}acetate|MLS002252585|SMR001314924
| Molecular Formula | C17H16N4O6S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 3.22624 |
| Topological Polar Surface Area | 134.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.07904 |
| Heavy Atoms | 28 |
| Complexity | 962.4565 |
Chemical Identifiers
| CAS Number | 794543-48-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (CAS 794543-48-9), with molecular formula C17H16N4O6S and molecular weight 404.08 g/mol. IUPAC: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.
Chemical Property Profile of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
Property Insights of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
The XLogP value of 3.22624 indicates that [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate. Following Lipinski's Rule of Five, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate has 0 hydrogen bond donor(s) and 10 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-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The CAS number of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is 794543-48-9.
What is the molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is C17H16N4O6S.
What is the molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is 404.08 g/mol.
Where can I buy [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
You can request a quote for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.