BAS 11178664
TL;DR: BAS 11178664 (CAS 865591-82-8) is a chemical compound with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: BAS 11178664, AB00674302-01, F1417-0024, 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide, 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
| Molecular Formula | C22H18FN3O3S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.21968 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1053 |
| Heavy Atoms | 30 |
| Complexity | 1099.081 |
Chemical Identifiers
| CAS Number | 865591-82-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)F)C#N)C4=CC=CO4)C(=O)C1 |
Product Overview
BAS 11178664 (CAS 865591-82-8), with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of BAS 11178664
Property Insights of BAS 11178664
The XLogP value of 4.21968 indicates that BAS 11178664 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11178664. Following Lipinski's Rule of Five, BAS 11178664 has 2 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 11178664?
The CAS number of BAS 11178664 is 865591-82-8.
What is the molecular formula of BAS 11178664?
The molecular formula of BAS 11178664 is C22H18FN3O3S.
What is the molecular weight of BAS 11178664?
The molecular weight of BAS 11178664 is 423.11 g/mol.
Where can I buy BAS 11178664?
You can request a quote for BAS 11178664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11178664?
Yes, KEHONG BIO provides custom synthesis services for BAS 11178664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.