IFLab1_003091
TL;DR: IFLab1_003091 (CAS 851716-84-2) is a chemical compound with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
Also Known As: IFLab1_003091, IDI1_009550, F0620-0715, N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}acetamide, (Z)-2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-N-(6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)acetamide
| Molecular Formula | C22H23N3O3S2 |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 3.3883 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.11807 |
| Heavy Atoms | 30 |
| Complexity | 1165.8893 |
Chemical Identifiers
| CAS Number | 851716-84-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43 |
Product Overview
IFLab1_003091 (CAS 851716-84-2), with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
Chemical Property Profile of IFLab1_003091
Property Insights of IFLab1_003091
The XLogP value of 3.3883 indicates that IFLab1_003091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003091. Following Lipinski's Rule of Five, IFLab1_003091 has 0 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_003091?
The CAS number of IFLab1_003091 is 851716-84-2.
What is the molecular formula of IFLab1_003091?
The molecular formula of IFLab1_003091 is C22H23N3O3S2.
What is the molecular weight of IFLab1_003091?
The molecular weight of IFLab1_003091 is 441.12 g/mol.
Where can I buy IFLab1_003091?
You can request a quote for IFLab1_003091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003091?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.