(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
TL;DR: (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one (CAS 83396-71-8) 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.
(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Also Known As: (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one, (4E)-2-methyl-4-(2-thienylmethylene)oxazol-5-one, (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one, 2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one, (4E)-2-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.0642 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 389.75702 |
Chemical Identifiers
| CAS Number | 83396-71-8 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=CS2)/C(=O)O1 |
Product Overview
(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one (CAS 83396-71-8), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one.
Chemical Property Profile of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
Property Insights of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one
The XLogP value of 2.0642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 38.66 Ų, (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-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 (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one?
The CAS number of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one is 83396-71-8.
What is the molecular formula of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one?
The molecular formula of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one is C9H7NO2S.
What is the molecular weight of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one?
The molecular weight of (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one is 193.02 g/mol.
Where can I buy (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one?
You can request a quote for (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-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 (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-methyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.