IFLab1_005869
TL;DR: IFLab1_005869 (CAS 721431-85-2) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 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-cyclopropylacetamide
Also Known As: IFLab1_005869, IDI1_011272, AB00674306-01, F1417-0207, 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-cyclopropylacetamide
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 2.72048 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 843.88043 |
Chemical Identifiers
| CAS Number | 721431-85-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3CC3)C#N)C4=CC=CO4)C(=O)C1 |
Product Overview
IFLab1_005869 (CAS 721431-85-2), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclopropylacetamide.
Chemical Property Profile of IFLab1_005869
Property Insights of IFLab1_005869
The XLogP value of 2.72048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005869. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005869. Following Lipinski's Rule of Five, IFLab1_005869 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_005869?
The CAS number of IFLab1_005869 is 721431-85-2.
What is the molecular formula of IFLab1_005869?
The molecular formula of IFLab1_005869 is C19H19N3O3S.
What is the molecular weight of IFLab1_005869?
The molecular weight of IFLab1_005869 is 369.11 g/mol.
Where can I buy IFLab1_005869?
You can request a quote for IFLab1_005869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005869?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.