3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile
TL;DR: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile (CAS 79098-20-7) is a chemical compound with molecular formula C11H6ClFN2O and molecular weight 236.02 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-1,2-oxazole-4-carbonitrile
Also Known As: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile, 4-chloropentylbenzene, Maybridge1_006142, 2,4-xylene sulfonic acid, 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile
| Molecular Formula | C11H6ClFN2O |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.3142 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.01527 |
| Heavy Atoms | 16 |
| Complexity | 565.9059 |
Chemical Identifiers
| CAS Number | 79098-20-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C#N |
Product Overview
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile (CAS 79098-20-7), with molecular formula C11H6ClFN2O and molecular weight 236.02 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile
Property Insights of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile
The XLogP value of 3.3142 indicates that 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile is 79098-20-7.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile is C11H6ClFN2O.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile is 236.02 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile 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)-5-methylisoxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.