BAS 11177146
TL;DR: BAS 11177146 (CAS 799787-35-2) is a chemical compound with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 11177146, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 2-[2-(4-chlorophenyl)-2-oxoethylthio]-4-(2-furyl)-5-oxo-1,4,6,7,8-pentahydroqu inoline-3-carbonitrile, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H17ClN2O3S |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.06485 |
| Heavy Atoms | 29 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 799787-35-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C4=CC=CO4)C(=O)C1 |
| InChIKey | CYBXNZQPJPWRHY-UHFFFAOYSA-N |
Product Overview
BAS 11177146 (CAS 799787-35-2), with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 11177146
Property Insights of BAS 11177146
The XLogP value of 3.8 indicates that BAS 11177146 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 11177146. Following Lipinski's Rule of Five, BAS 11177146 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 11177146?
The CAS number of BAS 11177146 is 799787-35-2.
What is the molecular formula of BAS 11177146?
The molecular formula of BAS 11177146 is C22H17ClN2O3S.
What is the molecular weight of BAS 11177146?
The molecular weight of BAS 11177146 is 424.06 g/mol.
Where can I buy BAS 11177146?
You can request a quote for BAS 11177146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177146?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.