3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide
TL;DR: 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide (CAS 536725-60-7) is a chemical compound with molecular formula C20H16ClN3O3S and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide, 3-[3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBONYL]-1-(2-OXO-2-PHENYLETHYL)THIOUREA, 3-(2-chlorophenyl)-5-methyl-N-[(2-oxo-2-phenylethyl)carbamothioyl]-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-{[(2-oxo-2-phenylethyl)amino]carbonothioyl}-4-isoxazolecarboxamide (non-preferred name)
| Molecular Formula | C20H16ClN3O3S |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 3.79062 |
| Topological Polar Surface Area | 84.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0601 |
| Heavy Atoms | 28 |
| Complexity | 1034.1849 |
Chemical Identifiers
| CAS Number | 536725-60-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC(=O)C3=CC=CC=C3 |
Product Overview
3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide (CAS 536725-60-7), with molecular formula C20H16ClN3O3S and molecular weight 413.06 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide
Property Insights of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide
The XLogP value of 3.79062 indicates that 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide has 2 hydrogen bond donor(s) and 5 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-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide?
The CAS number of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide is 536725-60-7.
What is the molecular formula of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide?
The molecular formula of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide is C20H16ClN3O3S.
What is the molecular weight of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide?
The molecular weight of 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide is 413.06 g/mol.
Where can I buy 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide?
You can request a quote for 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-5-methyl-N-((2-oxo-2-phenylethyl)carbamothioyl)isoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.