![4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate structure](/static/products/6697/669715-96-2.webp)
4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
TL;DR: 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate (CAS 669715-96-2) is a chemical compound with molecular formula C19H12ClN3O5S and molecular weight 429.02 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 2-chlorobenzoate
Also Known As: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate, 4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-chlorobenzoate, 4-((5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl)thio)but-2-yn-1-yl 2-chlorobenzoate
| Molecular Formula | C19H12ClN3O5S |
|---|---|
| Molecular Weight | 429.02 g/mol |
| LogP | 4.2507 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.01862 |
| Heavy Atoms | 29 |
| Complexity | 1088.9692 |
Chemical Identifiers
| CAS Number | 669715-96-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate (CAS 669715-96-2), with molecular formula C19H12ClN3O5S and molecular weight 429.02 g/mol. IUPAC: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate.
Chemical Property Profile of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
Property Insights of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate
The XLogP value of 4.2507 indicates that 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate 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-ynyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate has 0 hydrogen bond donor(s) and 8 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 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The CAS number of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is 669715-96-2.
What is the molecular formula of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The molecular formula of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is C19H12ClN3O5S.
What is the molecular weight of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
The molecular weight of 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate is 429.02 g/mol.
Where can I buy 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate?
You can request a quote for 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate 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-ynyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.