![Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate structure](/static/products/431/431920-65-9.png)
Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate
TL;DR: Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate (CAS 431920-65-9) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 03655873, isopropyl 2-((5-(4-(dimethylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, ISOPROPYL 2-({5-[4-(DIMETHYLAMINO)PHENYL]-1,3,4-OXADIAZOL-2-YL}SULFANYL)ACETATE, methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate, propan-2-yl ({5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 431920-65-9 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)N(C)C |
| InChIKey | IVUGBWFOMFNAFV-UHFFFAOYSA-N |
Product Overview
Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate (CAS 431920-65-9), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: propan-2-yl 2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate
Property Insights of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate
The XLogP value of 3.1 indicates that Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate. Following Lipinski's Rule of Five, Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}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 Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate?
The CAS number of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate is 431920-65-9.
What is the molecular formula of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate?
The molecular formula of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate is C15H19N3O3S.
What is the molecular weight of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate?
The molecular weight of Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate is 321.11 g/mol.
Where can I buy Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate?
You can request a quote for Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-{5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-ylthio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.