1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate
TL;DR: 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 1025316-50-0) is a chemical compound with molecular formula C26H20ClFN2O3 and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(3,4-dimethylphenyl)-phenylmethylidene]amino] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate, [[(3,4-dimethylphenyl)-phenyl-methylene]amino] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate, [[(3,4-dimethylphenyl)-phenylmethylidene]amino] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, C26H20ClFN2O3
| Molecular Formula | C26H20ClFN2O3 |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 6.66876 |
| Topological Polar Surface Area | 64.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.11465 |
| Heavy Atoms | 33 |
| Complexity | 1343.222 |
Chemical Identifiers
| CAS Number | 1025316-50-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=NOC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)C4=CC=CC=C4)C |
Product Overview
1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 1025316-50-0), with molecular formula C26H20ClFN2O3 and molecular weight 462.11 g/mol. IUPAC: [[(3,4-dimethylphenyl)-phenylmethylidene]amino] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate
Property Insights of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate
The XLogP value of 6.66876 indicates that 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The CAS number of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate is 1025316-50-0.
What is the molecular formula of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular formula of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate is C26H20ClFN2O3.
What is the molecular weight of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular weight of 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate is 462.11 g/mol.
Where can I buy 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate?
You can request a quote for 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-aza-2-(3,4-dimethylphenyl)-2-phenylvinyl 3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.