IFLab1_006304
TL;DR: IFLab1_006304 (CAS 865612-46-0) is a chemical compound with molecular formula C25H25N3O3S and molecular weight 447.16 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)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: IFLab1_006304, BAS 11178178, AB00674504-01, 2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide, F1524-0169
| Molecular Formula | C25H25N3O3S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 5.0251 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.16165 |
| Heavy Atoms | 32 |
| Complexity | 1169.2891 |
Chemical Identifiers
| CAS Number | 865612-46-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CO4)C#N |
Product Overview
IFLab1_006304 (CAS 865612-46-0), with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of IFLab1_006304
Property Insights of IFLab1_006304
The XLogP value of 5.0251 indicates that IFLab1_006304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006304. Following Lipinski's Rule of Five, IFLab1_006304 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_006304?
The CAS number of IFLab1_006304 is 865612-46-0.
What is the molecular formula of IFLab1_006304?
The molecular formula of IFLab1_006304 is C25H25N3O3S.
What is the molecular weight of IFLab1_006304?
The molecular weight of IFLab1_006304 is 447.16 g/mol.
Where can I buy IFLab1_006304?
You can request a quote for IFLab1_006304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006304?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.