2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole
TL;DR: 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole (CAS 488709-30-4) is a chemical compound with molecular formula C19H13ClN2OS2 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-1-benzothiophen-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
Also Known As: 2-(3-chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole, AB00673684-01, F1263-0003, 2-(3-chloro-1-benzothiophen-2-yl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazole, 2-(3-chloro-1-benzothiophen-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
| Molecular Formula | C19H13ClN2OS2 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 6.4102 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.01578 |
| Heavy Atoms | 25 |
| Complexity | 1024.2797 |
Chemical Identifiers
| CAS Number | 488709-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole (CAS 488709-30-4), with molecular formula C19H13ClN2OS2 and molecular weight 384.02 g/mol. IUPAC: 2-(3-chloro-1-benzothiophen-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole
Property Insights of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole
The XLogP value of 6.4102 indicates that 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole?
The CAS number of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole is 488709-30-4.
What is the molecular formula of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole?
The molecular formula of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole is C19H13ClN2OS2.
What is the molecular weight of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole?
The molecular weight of 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole is 384.02 g/mol.
Where can I buy 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole?
You can request a quote for 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorobenzo[b]thiophen-2-yl)-5-(cinnamylthio)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.