RefChem:299684
TL;DR: RefChem:299684 (CAS 33006-61-0) is a chemical compound with molecular formula C23H21N3O4S3 and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-[3-ethyl-5-[(1-ethyl-2(1H)-quinolinylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-, (5-{3-Ethyl-5-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid, 3-Thiazolidineacetic acid, 5-[3-ethyl-5-[2-(1-ethyl-2(1H)-quinolinylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-, 5-(3-Ethyl-5-(2-(1-ethyl-2(1H)-quinolinylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 5-[3-Ethyl-5-[2-(1-ethyl-2(1H)-quinolinylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
| Molecular Formula | C23H21N3O4S3 |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.06943 |
| Heavy Atoms | 33 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 33006-61-0 |
|---|---|
| SMILES | CCN1C(=CC=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)CC(=O)O)S2)CC)C=CC4=CC=CC=C41 |
| InChIKey | VHIKFXFCFRHFNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:299684 (CAS 33006-61-0), with molecular formula C23H21N3O4S3 and molecular weight 499.07 g/mol. IUPAC: 2-[5-[3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:299684
Property Insights of RefChem:299684
The XLogP value of 4.5 indicates that RefChem:299684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:299684 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299684 has 1 hydrogen bond donor(s) and 8 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 RefChem:299684?
The CAS number of RefChem:299684 is 33006-61-0.
What is the molecular formula of RefChem:299684?
The molecular formula of RefChem:299684 is C23H21N3O4S3.
What is the molecular weight of RefChem:299684?
The molecular weight of RefChem:299684 is 499.07 g/mol.
Where can I buy RefChem:299684?
You can request a quote for RefChem:299684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.