IFLab1_004607
TL;DR: IFLab1_004607 (CAS 488107-36-4) is a chemical compound with molecular formula C18H15Cl2N3O2S and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: IFLab1_004607, IDI1_010362, 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, 2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
| Molecular Formula | C18H15Cl2N3O2S |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 3.64098 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0262 |
| Heavy Atoms | 26 |
| Complexity | 902.18756 |
Chemical Identifiers
| CAS Number | 488107-36-4 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=C(C(=CC=C3)Cl)Cl)C(=O)C1 |
Product Overview
IFLab1_004607 (CAS 488107-36-4), with molecular formula C18H15Cl2N3O2S and molecular weight 407.03 g/mol. IUPAC: 2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_004607
Property Insights of IFLab1_004607
The XLogP value of 3.64098 indicates that IFLab1_004607 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004607. Following Lipinski's Rule of Five, IFLab1_004607 has 2 hydrogen bond donor(s) and 5 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_004607?
The CAS number of IFLab1_004607 is 488107-36-4.
What is the molecular formula of IFLab1_004607?
The molecular formula of IFLab1_004607 is C18H15Cl2N3O2S.
What is the molecular weight of IFLab1_004607?
The molecular weight of IFLab1_004607 is 407.03 g/mol.
Where can I buy IFLab1_004607?
You can request a quote for IFLab1_004607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004607?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.