Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
TL;DR: Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate (CAS 301680-68-2) is a chemical compound with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: BAS 00839917, propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate, VU0508957-1, F3095-1238, propyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
| Molecular Formula | C21H19ClN2O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 5.12252 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.10333 |
| Heavy Atoms | 28 |
| Complexity | 995.89514 |
Chemical Identifiers
| CAS Number | 301680-68-2 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C |
Product Overview
Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate (CAS 301680-68-2), with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol. IUPAC: propyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
Property Insights of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
The XLogP value of 5.12252 indicates that Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)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 Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate. Following Lipinski's Rule of Five, Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)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 Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate?
The CAS number of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate is 301680-68-2.
What is the molecular formula of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate?
The molecular formula of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate is C21H19ClN2O4.
What is the molecular weight of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate?
The molecular weight of Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate is 398.10 g/mol.
Where can I buy Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate?
You can request a quote for Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.