RefChem:505430
TL;DR: RefChem:505430 (CAS 25962-03-2) is a chemical compound with molecular formula C16H14N2O3S3 and molecular weight 378.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-, 2-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 3-Thiazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thioxo-, 3-Thiazolidineaceticacid, 5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-
| Molecular Formula | C16H14N2O3S3 |
|---|---|
| Molecular Weight | 378.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.01666 |
| Heavy Atoms | 24 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 25962-03-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O |
| InChIKey | NVXMOCINNAPHSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:505430 (CAS 25962-03-2), with molecular formula C16H14N2O3S3 and molecular weight 378.02 g/mol. IUPAC: 2-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:505430
Property Insights of RefChem:505430
The XLogP value of 3.8 indicates that RefChem:505430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:505430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505430 has 1 hydrogen bond donor(s) and 7 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:505430?
The CAS number of RefChem:505430 is 25962-03-2.
What is the molecular formula of RefChem:505430?
The molecular formula of RefChem:505430 is C16H14N2O3S3.
What is the molecular weight of RefChem:505430?
The molecular weight of RefChem:505430 is 378.02 g/mol.
Where can I buy RefChem:505430?
You can request a quote for RefChem:505430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.