Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
TL;DR: Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- (CAS 98054-14-9) is a chemical compound with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
Also Known As: Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-, 5-{7-[4-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methyl-1,2-oxazole, 5-[7-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole, 3-Methyl-5-[7-[4-[(4,5-dihydro-4,4-dimethyloxazol)-2-yl]phenoxy]heptyl]isoxazole, 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.23 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 98054-14-9 |
|---|---|
| SMILES | CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NC(CO3)(C)C |
| InChIKey | UZNYBPPIYOHJBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- (CAS 98054-14-9), with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol. IUPAC: 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
Property Insights of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
The XLogP value of 5.0 indicates that Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- has 0 hydrogen bond donor(s) and 5 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, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-?
The CAS number of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- is 98054-14-9.
What is the molecular formula of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-?
The molecular formula of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- is C22H30N2O3.
What is the molecular weight of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-?
The molecular weight of Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- is 370.23 g/mol.
Where can I buy Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-?
You can request a quote for Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.