3,5-Dimethyl-4-(hydroxymethyl)isoxazole
TL;DR: 3,5-Dimethyl-4-(hydroxymethyl)isoxazole (CAS 1985-81-5) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)methanol
Also Known As: (3,5-Dimethyl-4-isoxazolyl)methanol, (3,5-dimethylisoxazol-4-yl)methanol, 4-Isoxazolemethanol, 3,5-dimethyl-, (3,5-dimethyl-1,2-oxazol-4-yl)methanol, (dimethyl-1,2-oxazol-4-yl)methanol
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 1985-81-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CO |
| InChIKey | JISPGFYJPXGNBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-(hydroxymethyl)isoxazole (CAS 1985-81-5), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methanol.
Chemical Property Profile of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole
Property Insights of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-(hydroxymethyl)isoxazole. With a topological polar surface area (TPSA) of 46.3 Ų, 3,5-Dimethyl-4-(hydroxymethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-(hydroxymethyl)isoxazole has 1 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 3,5-Dimethyl-4-(hydroxymethyl)isoxazole?
The CAS number of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole is 1985-81-5.
What is the molecular formula of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole?
The molecular formula of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole is C6H9NO2.
What is the molecular weight of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole?
The molecular weight of 3,5-Dimethyl-4-(hydroxymethyl)isoxazole is 127.06 g/mol.
Where can I buy 3,5-Dimethyl-4-(hydroxymethyl)isoxazole?
You can request a quote for 3,5-Dimethyl-4-(hydroxymethyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-(hydroxymethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-(hydroxymethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.