RefChem:282708
TL;DR: RefChem:282708 (CAS 23236-18-2) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 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-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 6-Chloro-3-nitropyridine-2-carboxylicacid, 3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-, 3-Thiazolidineaceticacid, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 23236-18-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O |
| InChIKey | QWFJNAHLMKUKHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:282708 (CAS 23236-18-2), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: 2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:282708
Property Insights of RefChem:282708
The XLogP value of 3.2 indicates that RefChem:282708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:282708. Following Lipinski's Rule of Five, RefChem:282708 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:282708?
The CAS number of RefChem:282708 is 23236-18-2.
What is the molecular formula of RefChem:282708?
The molecular formula of RefChem:282708 is C16H14N2O4S2.
What is the molecular weight of RefChem:282708?
The molecular weight of RefChem:282708 is 362.04 g/mol.
Where can I buy RefChem:282708?
You can request a quote for RefChem:282708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:282708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:282708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.