2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
TL;DR: 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one (CAS 83396-70-7) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Also Known As: Maybridge1_005853, NCI60_001139, (E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one, 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one, 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
| Molecular Formula | C14H9NO2S |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0354 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 83396-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)O2 |
| InChIKey | YWWRMWAWBUHZAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one (CAS 83396-70-7), with molecular formula C14H9NO2S and molecular weight 255.04 g/mol. IUPAC: 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
Chemical Property Profile of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
Property Insights of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
The XLogP value of 3.3 indicates that 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one. Following Lipinski's Rule of Five, 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one has 0 hydrogen bond donor(s) and 4 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-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one?
The CAS number of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one is 83396-70-7.
What is the molecular formula of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one?
The molecular formula of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one is C14H9NO2S.
What is the molecular weight of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one?
The molecular weight of 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one is 255.04 g/mol.
Where can I buy 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one?
You can request a quote for 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-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 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.