IFLab1_005461
TL;DR: IFLab1_005461 (CAS 23517-83-1) is a chemical compound with molecular formula C11H8ClNOS2 and molecular weight 268.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IFLab1_005461, 5-(p-Chlorobenzylidene)-3-methylrhodanine, 1,4-Di(1,3,2-dioxaborinan-2-yl)benzene, Rhodanine, 5-(p-chlorobenzylidene)-3-methyl-, 4-27-00-03384 (Beilstein Handbook Reference)
| Molecular Formula | C11H8ClNOS2 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.97357 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 23517-83-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(C=C2)Cl)SC1=S |
| InChIKey | LBRYJAAWKRWXCV-UHFFFAOYSA-N |
Product Overview
IFLab1_005461 (CAS 23517-83-1), with molecular formula C11H8ClNOS2 and molecular weight 268.97 g/mol. IUPAC: 5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of IFLab1_005461
Property Insights of IFLab1_005461
The XLogP value of 3.6 indicates that IFLab1_005461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005461. Following Lipinski's Rule of Five, IFLab1_005461 has 0 hydrogen bond donor(s) and 3 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_005461?
The CAS number of IFLab1_005461 is 23517-83-1.
What is the molecular formula of IFLab1_005461?
The molecular formula of IFLab1_005461 is C11H8ClNOS2.
What is the molecular weight of IFLab1_005461?
The molecular weight of IFLab1_005461 is 268.97 g/mol.
Where can I buy IFLab1_005461?
You can request a quote for IFLab1_005461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005461?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.