IFLab1_004882
TL;DR: IFLab1_004882 (CAS 332050-50-7) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate
Also Known As: IFLab1_004882, IDI1_010637, BAS 00865797, ethyl [(3-cyano-4-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetate, ethyl 2-((3-cyano-4-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 332050-50-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C)C#N |
| InChIKey | OWOPSUMVURRAJU-UHFFFAOYSA-N |
Product Overview
IFLab1_004882 (CAS 332050-50-7), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of IFLab1_004882
Property Insights of IFLab1_004882
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004882. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004882. Following Lipinski's Rule of Five, IFLab1_004882 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_004882?
The CAS number of IFLab1_004882 is 332050-50-7.
What is the molecular formula of IFLab1_004882?
The molecular formula of IFLab1_004882 is C15H18N2O3S.
What is the molecular weight of IFLab1_004882?
The molecular weight of IFLab1_004882 is 306.10 g/mol.
Where can I buy IFLab1_004882?
You can request a quote for IFLab1_004882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004882?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.