BAS 11177152
TL;DR: BAS 11177152 (CAS 799809-22-6) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 11177152, 4-(furan-2-yl)-5-oxo-2-((2-oxo-2-phenylethyl)thio)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(furan-2-yl)-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(2-furyl)-5-oxo-2-(phenacylthio)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 799809-22-6 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1 |
| InChIKey | COPLINDSWHYGQH-UHFFFAOYSA-N |
Product Overview
BAS 11177152 (CAS 799809-22-6), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: 4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 11177152
Property Insights of BAS 11177152
The XLogP value of 3.2 indicates that BAS 11177152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177152. Following Lipinski's Rule of Five, BAS 11177152 has 1 hydrogen bond donor(s) and 6 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 11177152?
The CAS number of BAS 11177152 is 799809-22-6.
What is the molecular formula of BAS 11177152?
The molecular formula of BAS 11177152 is C22H18N2O3S.
What is the molecular weight of BAS 11177152?
The molecular weight of BAS 11177152 is 390.10 g/mol.
Where can I buy BAS 11177152?
You can request a quote for BAS 11177152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177152?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.