4-Butyl-2-methyloxazole
TL;DR: 4-Butyl-2-methyloxazole (CAS 84027-87-2) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-2-methyl-1,3-oxazole
Also Known As: 4-Butyl-2-methyloxazole, 2-methyl-4-butyloxazole, 4-butyl-2-methyl-1,3-oxazole
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 84027-87-2 |
|---|---|
| SMILES | CCCCC1=COC(=N1)C |
| InChIKey | WLQJVRMHBOMLBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butyl-2-methyloxazole (CAS 84027-87-2), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 4-butyl-2-methyl-1,3-oxazole.
Chemical Property Profile of 4-Butyl-2-methyloxazole
Property Insights of 4-Butyl-2-methyloxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-2-methyloxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Butyl-2-methyloxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-2-methyloxazole has 0 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-2-methyloxazole?
The CAS number of 4-Butyl-2-methyloxazole is 84027-87-2.
What is the molecular formula of 4-Butyl-2-methyloxazole?
The molecular formula of 4-Butyl-2-methyloxazole is C8H13NO.
What is the molecular weight of 4-Butyl-2-methyloxazole?
The molecular weight of 4-Butyl-2-methyloxazole is 139.10 g/mol.
Where can I buy 4-Butyl-2-methyloxazole?
You can request a quote for 4-Butyl-2-methyloxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-2-methyloxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-2-methyloxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.