2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
TL;DR: 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one (CAS 145802-13-7) is a chemical compound with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-morpholin-4-yl-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one
Also Known As: BAS 01261378, 2-(4-MORPHOLINYL)-5-(4-NITROBENZYLIDENE)-1,3-THIAZOL-4(5H)-ONE, (5E)-2-morpholin-4-yl-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one, 655-555-7, RefChem:458192
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 145802-13-7 |
|---|---|
| SMILES | C1COCCN1C2=NC(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/S2 |
| InChIKey | PATZYQRIEFIBTD-FMIVXFBMSA-N |
Product Overview
2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one (CAS 145802-13-7), with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol. IUPAC: (5E)-2-morpholin-4-yl-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Property Insights of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one 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 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The CAS number of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 145802-13-7.
What is the molecular formula of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular formula of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is C14H13N3O4S.
What is the molecular weight of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular weight of 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 319.06 g/mol.
Where can I buy 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
You can request a quote for 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Morpholinyl)-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.