3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
TL;DR: 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole (CAS 39190-06-2) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-1,2-oxazole
Also Known As: 3-methyl-5- isoxazole, EINECS 254-340-1, 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole, Isoxazole, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-1,2-oxazole
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 3.96662 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 398.42337 |
Chemical Identifiers
| CAS Number | 39190-06-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C2=CC(=NO2)C |
Product Overview
3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole (CAS 39190-06-2), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-1,2-oxazole.
Chemical Property Profile of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
Property Insights of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
The XLogP value of 3.96662 indicates that 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole 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 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole?
The CAS number of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole is 39190-06-2.
What is the molecular formula of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole?
The molecular formula of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole is C13H19NO.
What is the molecular weight of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole?
The molecular weight of 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole is 205.15 g/mol.
Where can I buy 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole?
You can request a quote for 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.