RefChem:299683
TL;DR: RefChem:299683 (CAS 21584-13-4) is a chemical compound with molecular formula C14H14N2O4S4 and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 5-(3-Ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-3-thiazolidineethanesulfonic acid, 5-(3-ETHYLBENZOTHIAZOL-2(3H)-YLIDENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-ETHANESULFONIC ACID, 5-(3-Ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid, 2-[5-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, RefChem:299683
| Molecular Formula | C14H14N2O4S4 |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.98364 |
| Heavy Atoms | 24 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 21584-13-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O |
| InChIKey | GGHDIYKCZSGHKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:299683 (CAS 21584-13-4), with molecular formula C14H14N2O4S4 and molecular weight 401.98 g/mol. IUPAC: 2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of RefChem:299683
Property Insights of RefChem:299683
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299683. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:299683 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299683 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:299683?
The CAS number of RefChem:299683 is 21584-13-4.
What is the molecular formula of RefChem:299683?
The molecular formula of RefChem:299683 is C14H14N2O4S4.
What is the molecular weight of RefChem:299683?
The molecular weight of RefChem:299683 is 401.98 g/mol.
Where can I buy RefChem:299683?
You can request a quote for RefChem:299683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.