IFLab1_004884
TL;DR: IFLab1_004884 (CAS 384357-27-1) is a chemical compound with molecular formula C25H24N2O2S and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_004884, IDI1_010639, 2-ethylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-(ethylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-[4-(benzyloxy)phenyl]-2-(ethylsulfanyl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C25H24N2O2S |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 5.44778 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.15585 |
| Heavy Atoms | 30 |
| Complexity | 1033.0684 |
Chemical Identifiers
| CAS Number | 384357-27-1 |
|---|---|
| SMILES | CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N |
Product Overview
IFLab1_004884 (CAS 384357-27-1), with molecular formula C25H24N2O2S and molecular weight 416.16 g/mol. IUPAC: 2-ethylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of IFLab1_004884
Property Insights of IFLab1_004884
The XLogP value of 5.44778 indicates that IFLab1_004884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004884. Following Lipinski's Rule of Five, IFLab1_004884 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_004884?
The CAS number of IFLab1_004884 is 384357-27-1.
What is the molecular formula of IFLab1_004884?
The molecular formula of IFLab1_004884 is C25H24N2O2S.
What is the molecular weight of IFLab1_004884?
The molecular weight of IFLab1_004884 is 416.16 g/mol.
Where can I buy IFLab1_004884?
You can request a quote for IFLab1_004884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004884?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.