2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 332126-69-9) is a chemical compound with molecular formula C18H15ClN2O3S and molecular weight 374.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 01157463, 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate, (2,6-dimethylphenyl) 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, [5-(2-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid 2,6-dimethyl-phenyl ester, 2,6-Dimethylphenyl2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
| Molecular Formula | C18H15ClN2O3S |
|---|---|
| Molecular Weight | 374.05 g/mol |
| LogP | 4.70454 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.0492 |
| Heavy Atoms | 25 |
| Complexity | 890.59174 |
Chemical Identifiers
| CAS Number | 332126-69-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl |
Product Overview
2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 332126-69-9), with molecular formula C18H15ClN2O3S and molecular weight 374.05 g/mol. IUPAC: (2,6-dimethylphenyl) 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 4.70454 indicates that 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate 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 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 332126-69-9.
What is the molecular formula of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C18H15ClN2O3S.
What is the molecular weight of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 374.05 g/mol.
Where can I buy 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-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 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl 2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.