![5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole structure](/static/products/1073/107311-68-2.webp)
5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
TL;DR: 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole (CAS 107311-68-2) is a chemical compound with molecular formula C20H21Cl2NO2S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[2,6-dichloro-4-(5-methylthiophen-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Also Known As: 5-[5-[2,6-dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole, 5-{5-[2,6-dichloro-4-(5-methylthiophen-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole, 4-(5-Methyl-2-thienyl)-2,6-dichloro-1-[5-(3-methylisoxazol-5-yl)pentoxy]benzene, 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methylisoxazole, 5-[5-[2,6-dichloro-4-(5-methylthiophen-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
| Molecular Formula | C20H21Cl2NO2S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.06702 |
| Heavy Atoms | 26 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 107311-68-2 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=CC(=C(C(=C2)Cl)OCCCCCC3=CC(=NO3)C)Cl |
| InChIKey | KYGNSJZUIMNDMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole (CAS 107311-68-2), with molecular formula C20H21Cl2NO2S and molecular weight 409.07 g/mol. IUPAC: 5-[5-[2,6-dichloro-4-(5-methylthiophen-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
Property Insights of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
The XLogP value of 6.8 indicates that 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole. Following Lipinski's Rule of Five, 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole?
The CAS number of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole is 107311-68-2.
What is the molecular formula of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole?
The molecular formula of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole is C20H21Cl2NO2S.
What is the molecular weight of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole?
The molecular weight of 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole is 409.07 g/mol.
Where can I buy 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole?
You can request a quote for 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.