RefChem:527004
TL;DR: RefChem:527004 (CAS 21025-18-3) is a chemical compound with molecular formula C12H16N2OS3 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 4-thiazolidinone, 3-ethyl-5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-2-thioxo-, 3-ethyl-5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Ethyl-5-(1-methyl-2-(3-methyl-2-thiazolidene)ethylidene)rhodanine, 3-Ethyl-5-(1-methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene)rhodanine, 3-Ethyl-5-(1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene)-2-thioxo-4-thiazolidinone
| Molecular Formula | C12H16N2OS3 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.04248 |
| Heavy Atoms | 18 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 21025-18-3 |
|---|---|
| SMILES | CCN1C(=O)C(=C(C)C=C2N(CCS2)C)SC1=S |
| InChIKey | LOQHVCVQRNEXDJ-UHFFFAOYSA-N |
Product Overview
RefChem:527004 (CAS 21025-18-3), with molecular formula C12H16N2OS3 and molecular weight 300.04 g/mol. IUPAC: 3-ethyl-5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:527004
Property Insights of RefChem:527004
The XLogP value of 3.4 indicates that RefChem:527004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:527004. Following Lipinski's Rule of Five, RefChem:527004 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 RefChem:527004?
The CAS number of RefChem:527004 is 21025-18-3.
What is the molecular formula of RefChem:527004?
The molecular formula of RefChem:527004 is C12H16N2OS3.
What is the molecular weight of RefChem:527004?
The molecular weight of RefChem:527004 is 300.04 g/mol.
Where can I buy RefChem:527004?
You can request a quote for RefChem:527004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:527004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:527004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.