![4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate structure](/static/products/669/669715-54-2.png)
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate (CAS 669715-54-2) is a chemical compound with molecular formula C21H12ClN3O5S2 and molecular weight 484.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate, 4-((5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 3-chlorobenzo[b]thiophene-2-carboxylate, 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C21H12ClN3O5S2 |
|---|---|
| Molecular Weight | 484.99 g/mol |
| LogP | 5.4654 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.9907 |
| Heavy Atoms | 32 |
| Complexity | 1355.2728 |
Chemical Identifiers
| CAS Number | 669715-54-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate (CAS 669715-54-2), with molecular formula C21H12ClN3O5S2 and molecular weight 484.99 g/mol. IUPAC: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 5.4654 indicates that 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate is 669715-54-2.
What is the molecular formula of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate is C21H12ClN3O5S2.
What is the molecular weight of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate is 484.99 g/mol.
Where can I buy 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.