IFLab1_005926
TL;DR: IFLab1_005926 (CAS 797798-20-0) is a chemical compound with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: IFLab1_005926, IDI1_011329, 2-((3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, F1461-0409
| Molecular Formula | C25H22FN3O3S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 4.63528 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1366 |
| Heavy Atoms | 33 |
| Complexity | 1215.373 |
Chemical Identifiers
| CAS Number | 797798-20-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4F)C#N |
Product Overview
IFLab1_005926 (CAS 797798-20-0), with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol. IUPAC: 2-[[3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of IFLab1_005926
Property Insights of IFLab1_005926
The XLogP value of 4.63528 indicates that IFLab1_005926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005926. Following Lipinski's Rule of Five, IFLab1_005926 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 IFLab1_005926?
The CAS number of IFLab1_005926 is 797798-20-0.
What is the molecular formula of IFLab1_005926?
The molecular formula of IFLab1_005926 is C25H22FN3O3S.
What is the molecular weight of IFLab1_005926?
The molecular weight of IFLab1_005926 is 463.14 g/mol.
Where can I buy IFLab1_005926?
You can request a quote for IFLab1_005926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005926?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.