IFLab1_004840
TL;DR: IFLab1_004840 (CAS 370855-80-4) is a chemical compound with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_004840, IDI1_010595, 4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C24H22N2O2S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 5.05768 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1402 |
| Heavy Atoms | 29 |
| Complexity | 1017.09625 |
Chemical Identifiers
| CAS Number | 370855-80-4 |
|---|---|
| SMILES | CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N |
Product Overview
IFLab1_004840 (CAS 370855-80-4), with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol. IUPAC: 2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of IFLab1_004840
Property Insights of IFLab1_004840
The XLogP value of 5.05768 indicates that IFLab1_004840 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_004840. Following Lipinski's Rule of Five, IFLab1_004840 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_004840?
The CAS number of IFLab1_004840 is 370855-80-4.
What is the molecular formula of IFLab1_004840?
The molecular formula of IFLab1_004840 is C24H22N2O2S.
What is the molecular weight of IFLab1_004840?
The molecular weight of IFLab1_004840 is 402.14 g/mol.
Where can I buy IFLab1_004840?
You can request a quote for IFLab1_004840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004840?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.