(E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one
TL;DR: (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one (CAS 313264-32-3) is a chemical compound with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
Also Known As: (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one, F0346-3575, (4E)-4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one, (4E)-4-[(3-METHYLTHIOPHEN-2-YL)METHYLIDENE]-2-(4-NITROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE
| Molecular Formula | C15H10N2O4S |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 3.30922 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03613 |
| Heavy Atoms | 22 |
| Complexity | 818.32294 |
Chemical Identifiers
| CAS Number | 313264-32-3 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one (CAS 313264-32-3), with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol. IUPAC: (4E)-4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one
Property Insights of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one
The XLogP value of 3.30922 indicates that (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 6 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 (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one?
The CAS number of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one is 313264-32-3.
What is the molecular formula of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one?
The molecular formula of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one is C15H10N2O4S.
What is the molecular weight of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one?
The molecular weight of (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one is 314.04 g/mol.
Where can I buy (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one?
You can request a quote for (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-methylthiophen-2-yl)methylene)-2-(4-nitrophenyl)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.