![Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate structure](/static/products/5446/544666-62-8.webp)
Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate
TL;DR: Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate (CAS 544666-62-8) is a chemical compound with molecular formula C22H20Cl2N2O4 and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate, butyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate, butyl 4-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate, butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)benzoate, butyl 4-{[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
| Molecular Formula | C22H20Cl2N2O4 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 6.16602 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.08002 |
| Heavy Atoms | 30 |
| Complexity | 1041.2495 |
Chemical Identifiers
| CAS Number | 544666-62-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C |
Product Overview
Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate (CAS 544666-62-8), with molecular formula C22H20Cl2N2O4 and molecular weight 446.08 g/mol. IUPAC: butyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate
Property Insights of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate
The XLogP value of 6.16602 indicates that Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate has 1 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 Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate?
The CAS number of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate is 544666-62-8.
What is the molecular formula of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate?
The molecular formula of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate is C22H20Cl2N2O4.
What is the molecular weight of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate?
The molecular weight of Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate is 446.08 g/mol.
Where can I buy Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate?
You can request a quote for Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.