Isoxazole, 4,5-dihydro-3-methoxy-
TL;DR: Isoxazole, 4,5-dihydro-3-methoxy- (CAS 40784-13-2) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4,5-dihydro-1,2-oxazole
Also Known As: methoxyisoxazoline, Isoxazole, 4,5-dihydro-3-methoxy-, 3-methoxy-4,5-dihydro-isoxazole, 3-methoxy-4,5-dihydro-1,2-oxazole, RefChem:350222
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 40784-13-2 |
|---|---|
| SMILES | COC1=NOCC1 |
| InChIKey | QDWJURNRKMVVNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxazole, 4,5-dihydro-3-methoxy- (CAS 40784-13-2), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: 3-methoxy-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of Isoxazole, 4,5-dihydro-3-methoxy-
Property Insights of Isoxazole, 4,5-dihydro-3-methoxy-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 4,5-dihydro-3-methoxy-. With a topological polar surface area (TPSA) of 30.8 Ų, Isoxazole, 4,5-dihydro-3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 4,5-dihydro-3-methoxy- 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 Isoxazole, 4,5-dihydro-3-methoxy-?
The CAS number of Isoxazole, 4,5-dihydro-3-methoxy- is 40784-13-2.
What is the molecular formula of Isoxazole, 4,5-dihydro-3-methoxy-?
The molecular formula of Isoxazole, 4,5-dihydro-3-methoxy- is C4H7NO2.
What is the molecular weight of Isoxazole, 4,5-dihydro-3-methoxy-?
The molecular weight of Isoxazole, 4,5-dihydro-3-methoxy- is 101.05 g/mol.
Where can I buy Isoxazole, 4,5-dihydro-3-methoxy-?
You can request a quote for Isoxazole, 4,5-dihydro-3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 4,5-dihydro-3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 4,5-dihydro-3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.