4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one
TL;DR: 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one (CAS 102587-50-8) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-3-methyl-4H-1,2-oxazol-5-one
Also Known As: 4-(2-hydroxyethyl)-3-methyl-4H-1,2-oxazol-5-one, 4-(2-hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one, 4-(2-Hydroxyethyl)-3-methylisoxazol-5(4H)-one, 3-Phenyl-4-<2-hydroxy-aethyl>-2-pyrazolin-5-on, 5(4H)-Isoxazolone,4-(2-hydroxyethyl)-3-methyl-
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 102587-50-8 |
|---|---|
| SMILES | CC1=NOC(=O)C1CCO |
| InChIKey | LLBHKMWFPCRPDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one (CAS 102587-50-8), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 4-(2-hydroxyethyl)-3-methyl-4H-1,2-oxazol-5-one.
Chemical Property Profile of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one
Property Insights of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one
The XLogP value of -0.2 indicates that 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one has 1 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 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one?
The CAS number of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one is 102587-50-8.
What is the molecular formula of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one?
The molecular formula of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one is C6H9NO3.
What is the molecular weight of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one?
The molecular weight of 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one is 143.06 g/mol.
Where can I buy 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one?
You can request a quote for 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyethyl)-3-methyl-1,2-oxazol-5(4h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.