3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one
TL;DR: 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one (CAS 75914-61-3) 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.
3-tert-butyl-4H-1,2-oxazol-5-one
Also Known As: 3- -5 -ISOXAZOLONE, 3-tert-butyl-4H-1,2-oxazol-5-one, 3-tert-butyl-4,5-dihydro-1,2-oxazol-5-one, 3-(tert-butyl)isoxazol-5(4H)-one, 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.3354 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 188.27301 |
Chemical Identifiers
| CAS Number | 75914-61-3 |
|---|---|
| SMILES | CC(C)(C)C1=NOC(=O)C1 |
Product Overview
3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one (CAS 75914-61-3), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 3-tert-butyl-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one
Property Insights of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one
The XLogP value of 1.3354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one. With a topological polar surface area (TPSA) of 38.66 Ų, 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one 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 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one?
The CAS number of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one is 75914-61-3.
What is the molecular formula of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one?
The molecular formula of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one is C7H11NO2.
What is the molecular weight of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one?
The molecular weight of 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one is 141.08 g/mol.
Where can I buy 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one?
You can request a quote for 3-Tert-butyl-4,5-dihydro-1,2-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 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.