![Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate structure](/static/products/1399/139980-83-9.webp)
Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
TL;DR: Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate (CAS 139980-83-9) is a chemical compound with molecular formula C11H9ClN2O3S and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: BAS 00386426, AB00081814-01, methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate, methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, methyl 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-ylthio]acetate
| Molecular Formula | C11H9ClN2O3S |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.00223 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 139980-83-9 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(O1)C2=CC=CC=C2Cl |
| InChIKey | RMZVVWCZWAJXNE-UHFFFAOYSA-N |
Product Overview
Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate (CAS 139980-83-9), with molecular formula C11H9ClN2O3S and molecular weight 284.00 g/mol. IUPAC: methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Property Insights of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}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 Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate?
The CAS number of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate is 139980-83-9.
What is the molecular formula of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate?
The molecular formula of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate is C11H9ClN2O3S.
What is the molecular weight of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate?
The molecular weight of Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate is 284.00 g/mol.
Where can I buy Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate?
You can request a quote for Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.