![Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate structure](/static/products/4336/433694-47-4.webp)
Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 433694-47-4) is a chemical compound with molecular formula C13H9ClN2O3S2 and molecular weight 339.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate, Methyl 2-[[5-(3-chlorobenzo[b]thien-2-yl)-1,3,4-oxadiazol-2-yl]thio]acetate, methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate, methyl {[5-(3-chloro-1-benzothien-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetate, methyl {[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
| Molecular Formula | C13H9ClN2O3S2 |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.9743 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 433694-47-4 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(O1)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | AEALYBTZQMLFBC-UHFFFAOYSA-N |
Product Overview
Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 433694-47-4), with molecular formula C13H9ClN2O3S2 and molecular weight 339.97 g/mol. IUPAC: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 3.9 indicates that Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-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 Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is 433694-47-4.
What is the molecular formula of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is C13H9ClN2O3S2.
What is the molecular weight of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate is 339.97 g/mol.
Where can I buy Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-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 Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.