IFLab1_005359
TL;DR: IFLab1_005359 (CAS 799801-30-2) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_005359, IDI1_010762, BAS 11177188, 4-(furan-2-yl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(furan-2-yl)-5-oxo-2-((2-oxo-2-(p-tolyl)ethyl)thio)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 799801-30-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N |
| InChIKey | JJWKFMVUIJEGSH-UHFFFAOYSA-N |
Product Overview
IFLab1_005359 (CAS 799801-30-2), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: 4-(furan-2-yl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of IFLab1_005359
Property Insights of IFLab1_005359
The XLogP value of 3.5 indicates that IFLab1_005359 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005359. Following Lipinski's Rule of Five, IFLab1_005359 has 1 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_005359?
The CAS number of IFLab1_005359 is 799801-30-2.
What is the molecular formula of IFLab1_005359?
The molecular formula of IFLab1_005359 is C23H20N2O3S.
What is the molecular weight of IFLab1_005359?
The molecular weight of IFLab1_005359 is 404.12 g/mol.
Where can I buy IFLab1_005359?
You can request a quote for IFLab1_005359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005359?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.