2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
TL;DR: 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone (CAS 78654-98-5) 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-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
Also Known As: 4-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one, 4-isopropyl-2-methyl-4H-oxazol-5-one, NCI60_011990, 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone, 5(4H)-Oxazolone, 2-methyl-4-(1-methylethyl)-
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.1 |
| 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 | 184.0 |
Chemical Identifiers
| CAS Number | 78654-98-5 |
|---|---|
| SMILES | CC1=NC(C(=O)O1)C(C)C |
| InChIKey | VSYHWTNTZROWMJ-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone (CAS 78654-98-5), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one.
Chemical Property Profile of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
Property Insights of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone 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 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone?
The CAS number of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone is 78654-98-5.
What is the molecular formula of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone?
The molecular formula of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone is C7H11NO2.
What is the molecular weight of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone?
The molecular weight of 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone is 141.08 g/mol.
Where can I buy 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone?
You can request a quote for 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone 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-(1-methylethyl)-5(4H)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.