IFLab1_004827
TL;DR: IFLab1_004827 (CAS 488134-10-7) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Also Known As: IFLab1_004827, IDI1_010582, ethyl 2-((3-cyano-4-(4-isopropylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate, ethyl 2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 4.53538 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 907.0458 |
Chemical Identifiers
| CAS Number | 488134-10-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N |
Product Overview
IFLab1_004827 (CAS 488134-10-7), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: ethyl 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_004827
Property Insights of IFLab1_004827
The XLogP value of 4.53538 indicates that IFLab1_004827 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_004827. Following Lipinski's Rule of Five, IFLab1_004827 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_004827?
The CAS number of IFLab1_004827 is 488134-10-7.
What is the molecular formula of IFLab1_004827?
The molecular formula of IFLab1_004827 is C23H26N2O3S.
What is the molecular weight of IFLab1_004827?
The molecular weight of IFLab1_004827 is 410.17 g/mol.
Where can I buy IFLab1_004827?
You can request a quote for IFLab1_004827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004827?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.