![Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate structure](/static/products/3016/301680-66-0.webp)
Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
TL;DR: Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate (CAS 301680-66-0) is a chemical compound with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: BAS 00799365, butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate, AF-399/11786084, butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate, butyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
| Molecular Formula | C22H21ClN2O4 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 5.51262 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.119 |
| Heavy Atoms | 29 |
| Complexity | 1011.9067 |
Chemical Identifiers
| CAS Number | 301680-66-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C |
Product Overview
Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate (CAS 301680-66-0), with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol. IUPAC: butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
Property Insights of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
The XLogP value of 5.51262 indicates that Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}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-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}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-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The CAS number of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is 301680-66-0.
What is the molecular formula of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The molecular formula of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is C22H21ClN2O4.
What is the molecular weight of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The molecular weight of Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is 412.12 g/mol.
Where can I buy Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
You can request a quote for Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}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-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.