2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
TL;DR: 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CAS 394655-17-5) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Also Known As: Maybridge3_007439, 2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one, 9-methoxy-7,8-dioxabicyclo<4.2.2>deca-2,4,9-triene, (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one, 2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 394655-17-5 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=CS2)C(=O)O1 |
| InChIKey | FNIJNQKPASQIFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one (CAS 394655-17-5), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
Chemical Property Profile of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Property Insights of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one. Following Lipinski's Rule of Five, 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-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-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The CAS number of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is 394655-17-5.
What is the molecular formula of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The molecular formula of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is C9H7NO2S.
What is the molecular weight of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
The molecular weight of 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is 193.02 g/mol.
Where can I buy 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
You can request a quote for 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.