IFLab1_004973
TL;DR: IFLab1_004973 (CAS 383892-92-0) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Also Known As: IFLab1_004973, methyl 2-((3-cyano-5-oxo-4-(o-tolyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, methyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate, METHYL 2-{[3-CYANO-4-(2-METHYLPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.3303 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 864.0524 |
Chemical Identifiers
| CAS Number | 383892-92-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)OC)C#N |
Product Overview
IFLab1_004973 (CAS 383892-92-0), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: methyl 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_004973
Property Insights of IFLab1_004973
The XLogP value of 3.3303 indicates that IFLab1_004973 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004973. Following Lipinski's Rule of Five, IFLab1_004973 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_004973?
The CAS number of IFLab1_004973 is 383892-92-0.
What is the molecular formula of IFLab1_004973?
The molecular formula of IFLab1_004973 is C20H20N2O3S.
What is the molecular weight of IFLab1_004973?
The molecular weight of IFLab1_004973 is 368.12 g/mol.
Where can I buy IFLab1_004973?
You can request a quote for IFLab1_004973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004973?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.