IFLab1_005149
TL;DR: IFLab1_005149 (CAS 370850-50-3) is a chemical compound with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: IFLab1_005149, N-(3-chlorophenyl)-2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, F1155-0389, N-(3-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H18ClN3O3S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 4.73398 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.07574 |
| Heavy Atoms | 30 |
| Complexity | 1099.081 |
Chemical Identifiers
| CAS Number | 370850-50-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)Cl)C#N)C4=CC=CO4)C(=O)C1 |
Product Overview
IFLab1_005149 (CAS 370850-50-3), with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_005149
Property Insights of IFLab1_005149
The XLogP value of 4.73398 indicates that IFLab1_005149 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_005149. Following Lipinski's Rule of Five, IFLab1_005149 has 2 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_005149?
The CAS number of IFLab1_005149 is 370850-50-3.
What is the molecular formula of IFLab1_005149?
The molecular formula of IFLab1_005149 is C22H18ClN3O3S.
What is the molecular weight of IFLab1_005149?
The molecular weight of IFLab1_005149 is 439.08 g/mol.
Where can I buy IFLab1_005149?
You can request a quote for IFLab1_005149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005149?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.