2-Methyl-4,4-dimethylol oxazoline
TL;DR: 2-Methyl-4,4-dimethylol oxazoline (CAS 4271-18-5) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methanol
Also Known As: 2-Methyl-4,4-dimethylol oxazoline, 4,4-bis(hydroxymethyl)-2-methyl-1,3-oxazoline, (2-methyl-4,5-dihydrooxazole-4,4-diyl)dimethanol, [4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methanol
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4271-18-5 |
|---|---|
| SMILES | CC1=NC(CO1)(CO)CO |
| InChIKey | RUILRLCHVAUQDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,4-dimethylol oxazoline (CAS 4271-18-5), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: [4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methanol.
Chemical Property Profile of 2-Methyl-4,4-dimethylol oxazoline
Property Insights of 2-Methyl-4,4-dimethylol oxazoline
The XLogP value of -1.7 indicates that 2-Methyl-4,4-dimethylol oxazoline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4,4-dimethylol oxazoline. Following Lipinski's Rule of Five, 2-Methyl-4,4-dimethylol oxazoline has 2 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 2-Methyl-4,4-dimethylol oxazoline?
The CAS number of 2-Methyl-4,4-dimethylol oxazoline is 4271-18-5.
What is the molecular formula of 2-Methyl-4,4-dimethylol oxazoline?
The molecular formula of 2-Methyl-4,4-dimethylol oxazoline is C6H11NO3.
What is the molecular weight of 2-Methyl-4,4-dimethylol oxazoline?
The molecular weight of 2-Methyl-4,4-dimethylol oxazoline is 145.07 g/mol.
Where can I buy 2-Methyl-4,4-dimethylol oxazoline?
You can request a quote for 2-Methyl-4,4-dimethylol oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,4-dimethylol oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,4-dimethylol oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.