![5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione structure](/static/products/6851/685108-31-0.webp)
5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione
TL;DR: 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione (CAS 685108-31-0) is a chemical compound with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
Also Known As: 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione, 5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C12H9ClN2O4S |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 3.3044 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.99716 |
| Heavy Atoms | 20 |
| Complexity | 644.34454 |
Chemical Identifiers
| CAS Number | 685108-31-0 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC1=O |
Product Overview
5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione (CAS 685108-31-0), with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol. IUPAC: 5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione
Property Insights of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione
The XLogP value of 3.3044 indicates that 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione 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 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione?
The CAS number of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione is 685108-31-0.
What is the molecular formula of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione?
The molecular formula of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione is C12H9ClN2O4S.
What is the molecular weight of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione?
The molecular weight of 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione is 312.00 g/mol.
Where can I buy 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione?
You can request a quote for 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Z)-(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-1,3-thiazolane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.