![2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one structure](/static/products/851/851130-03-5.png)
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
TL;DR: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 851130-03-5) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-1,2,3,4-tetrahydroquinoline, 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone, 2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.6536 |
| Topological Polar Surface Area | 77.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1038.0255 |
Chemical Identifiers
| CAS Number | 851130-03-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)C4COC5=CC=CC=C5O4 |
Product Overview
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 851130-03-5), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
Chemical Property Profile of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Property Insights of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
The XLogP value of 3.6536 indicates that 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one 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 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The CAS number of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 851130-03-5.
What is the molecular formula of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular formula of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is C21H19N3O4S.
What is the molecular weight of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular weight of 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 409.11 g/mol.
Where can I buy 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
You can request a quote for 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.