IFLab1_004869
TL;DR: IFLab1_004869 (CAS 488118-82-7) is a chemical compound with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_004869, IFLab2_000006, IDI1_010624, IDI1_019032, F1109-0039
| Molecular Formula | C24H22N2O3S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.76328 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1351 |
| Heavy Atoms | 30 |
| Complexity | 1083.375 |
Chemical Identifiers
| CAS Number | 488118-82-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N)O |
Product Overview
IFLab1_004869 (CAS 488118-82-7), with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol. IUPAC: 2-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of IFLab1_004869
Property Insights of IFLab1_004869
The XLogP value of 4.76328 indicates that IFLab1_004869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004869. Following Lipinski's Rule of Five, IFLab1_004869 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_004869?
The CAS number of IFLab1_004869 is 488118-82-7.
What is the molecular formula of IFLab1_004869?
The molecular formula of IFLab1_004869 is C24H22N2O3S.
What is the molecular weight of IFLab1_004869?
The molecular weight of IFLab1_004869 is 418.14 g/mol.
Where can I buy IFLab1_004869?
You can request a quote for IFLab1_004869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004869?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.