IFLab1_005533
TL;DR: IFLab1_005533 (CAS 799783-86-1) is a chemical compound with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: IFLab1_005533, BAS 11177140, IDI1_010936, AB00674101-01, AO-022/42435140
| Molecular Formula | C22H18FN3O3S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.21968 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1053 |
| Heavy Atoms | 30 |
| Complexity | 1099.081 |
Chemical Identifiers
| CAS Number | 799783-86-1 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=CC=C3F)C#N)C4=CC=CO4)C(=O)C1 |
Product Overview
IFLab1_005533 (CAS 799783-86-1), with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of IFLab1_005533
Property Insights of IFLab1_005533
The XLogP value of 4.21968 indicates that IFLab1_005533 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_005533. Following Lipinski's Rule of Five, IFLab1_005533 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_005533?
The CAS number of IFLab1_005533 is 799783-86-1.
What is the molecular formula of IFLab1_005533?
The molecular formula of IFLab1_005533 is C22H18FN3O3S.
What is the molecular weight of IFLab1_005533?
The molecular weight of IFLab1_005533 is 423.11 g/mol.
Where can I buy IFLab1_005533?
You can request a quote for IFLab1_005533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005533?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.