4-Butyl-5-methyl-3-isoxazolol
TL;DR: 4-Butyl-5-methyl-3-isoxazolol (CAS 96520-39-7) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-5-methyl-1,2-oxazol-3-one
Also Known As: 4-butyl-5-methyl-3-isoxazolol, butylmethylisoxazolol, 4-butyl-5-methylisoxazol-3-ol, 4-butyl-5-methyl-1,2-oxazol-3-one, 4-Butyl-5-methylisoxazol-3(2H)-one
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.61892 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 271.8646 |
Chemical Identifiers
| CAS Number | 96520-39-7 |
|---|---|
| SMILES | CCCCC1=C(ONC1=O)C |
Product Overview
4-Butyl-5-methyl-3-isoxazolol (CAS 96520-39-7), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 4-butyl-5-methyl-1,2-oxazol-3-one.
Chemical Property Profile of 4-Butyl-5-methyl-3-isoxazolol
Property Insights of 4-Butyl-5-methyl-3-isoxazolol
The XLogP value of 1.61892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-5-methyl-3-isoxazolol. With a topological polar surface area (TPSA) of 46.0 Ų, 4-Butyl-5-methyl-3-isoxazolol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-5-methyl-3-isoxazolol has 1 hydrogen bond donor(s) and 2 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-Butyl-5-methyl-3-isoxazolol?
The CAS number of 4-Butyl-5-methyl-3-isoxazolol is 96520-39-7.
What is the molecular formula of 4-Butyl-5-methyl-3-isoxazolol?
The molecular formula of 4-Butyl-5-methyl-3-isoxazolol is C8H13NO2.
What is the molecular weight of 4-Butyl-5-methyl-3-isoxazolol?
The molecular weight of 4-Butyl-5-methyl-3-isoxazolol is 155.09 g/mol.
Where can I buy 4-Butyl-5-methyl-3-isoxazolol?
You can request a quote for 4-Butyl-5-methyl-3-isoxazolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-5-methyl-3-isoxazolol?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-5-methyl-3-isoxazolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.