5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-
TL;DR: 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- (CAS 81375-96-4) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4H-1,3-oxazol-5-one
Also Known As: 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-, 2-tert-butyl-4H-1,3-oxazol-5-one, 2-tert-Butyl-1,3-oxazol-5(4H)-one, 2-tert-Butyl-1,3-oxazol-5(4H)-one #
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 81375-96-4 |
|---|---|
| SMILES | CC(C)(C)C1=NCC(=O)O1 |
| InChIKey | GEEJDCXFLUJKGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- (CAS 81375-96-4), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 2-tert-butyl-4H-1,3-oxazol-5-one.
Chemical Property Profile of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-
Property Insights of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 3 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 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-?
The CAS number of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- is 81375-96-4.
What is the molecular formula of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-?
The molecular formula of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- is C7H11NO2.
What is the molecular weight of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-?
The molecular weight of 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- is 141.08 g/mol.
Where can I buy 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-?
You can request a quote for 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Oxazolone, 2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.