IFLab1_004825
TL;DR: IFLab1_004825 (CAS 488796-52-7) is a chemical compound with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: IFLab1_004825, IFLab2_000260, IDI1_010580, IDI1_019286, 2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 5.10442 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1155.0533 |
Chemical Identifiers
| CAS Number | 488796-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)C)C#N |
Product Overview
IFLab1_004825 (CAS 488796-52-7), with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol. IUPAC: 2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of IFLab1_004825
Property Insights of IFLab1_004825
The XLogP value of 5.10442 indicates that IFLab1_004825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004825. Following Lipinski's Rule of Five, IFLab1_004825 has 2 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_004825?
The CAS number of IFLab1_004825 is 488796-52-7.
What is the molecular formula of IFLab1_004825?
The molecular formula of IFLab1_004825 is C26H25N3O2S.
What is the molecular weight of IFLab1_004825?
The molecular weight of IFLab1_004825 is 443.17 g/mol.
Where can I buy IFLab1_004825?
You can request a quote for IFLab1_004825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004825?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.