BAS 03575136
TL;DR: BAS 03575136 (CAS 486398-16-7) 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-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: BAS 03575136, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 2-{[5-(3,4-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-(3,4-dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-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 | 554.0 |
Chemical Identifiers
| CAS Number | 486398-16-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCCC4=CC=CC=C43)OC |
| InChIKey | LZZIRIFROQTDCO-UHFFFAOYSA-N |
Product Overview
BAS 03575136 (CAS 486398-16-7), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 03575136
Property Insights of BAS 03575136
The XLogP value of 3.7 indicates that BAS 03575136 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 03575136. Following Lipinski's Rule of Five, BAS 03575136 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 03575136?
The CAS number of BAS 03575136 is 486398-16-7.
What is the molecular formula of BAS 03575136?
The molecular formula of BAS 03575136 is C21H21N3O4S.
What is the molecular weight of BAS 03575136?
The molecular weight of BAS 03575136 is 411.13 g/mol.
Where can I buy BAS 03575136?
You can request a quote for BAS 03575136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03575136?
Yes, KEHONG BIO provides custom synthesis services for BAS 03575136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.