3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide
TL;DR: 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide (CAS 866150-66-5) is a chemical compound with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-methyl-4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
| Molecular Formula | C21H20ClFN2O2 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 6.12664 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.11972 |
| Heavy Atoms | 27 |
| Complexity | 991.1614 |
Chemical Identifiers
| CAS Number | 866150-66-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)C(C)C |
Product Overview
3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide (CAS 866150-66-5), with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide
Property Insights of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide
The XLogP value of 6.12664 indicates that 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide?
The CAS number of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide is 866150-66-5.
What is the molecular formula of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide?
The molecular formula of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide is C21H20ClFN2O2.
What is the molecular weight of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide?
The molecular weight of 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide is 386.12 g/mol.
Where can I buy 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide?
You can request a quote for 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-6-fluorophenyl)-N-(4-isopropyl-3-methylphenyl)-5-methyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.