BAS 04392659
TL;DR: BAS 04392659 (CAS 460732-67-6) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: BAS 04392659, 2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(3,5-dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 460732-67-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCCC4=CC=CC=C43)OC |
| InChIKey | FFUARGDGSULKFV-UHFFFAOYSA-N |
Product Overview
BAS 04392659 (CAS 460732-67-6), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 04392659
Property Insights of BAS 04392659
The XLogP value of 3.7 indicates that BAS 04392659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04392659. Following Lipinski's Rule of Five, BAS 04392659 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 BAS 04392659?
The CAS number of BAS 04392659 is 460732-67-6.
What is the molecular formula of BAS 04392659?
The molecular formula of BAS 04392659 is C21H21N3O4S.
What is the molecular weight of BAS 04392659?
The molecular weight of BAS 04392659 is 411.13 g/mol.
Where can I buy BAS 04392659?
You can request a quote for BAS 04392659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04392659?
Yes, KEHONG BIO provides custom synthesis services for BAS 04392659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.