1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA
TL;DR: 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA (CAS 1024126-29-1) is a chemical compound with molecular formula C19H13ClF3N3O3S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide
Also Known As: 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA, 3-(2-chlorophenyl)-5-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide, 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(trifluoromethoxy)phenyl]thiourea, 3-(2-chlorophenyl)-5-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]isoxazole-4-carboxamide, C19H13ClF3N3O3S
| Molecular Formula | C19H13ClF3N3O3S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 5.32882 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.03183 |
| Heavy Atoms | 30 |
| Complexity | 1084.6189 |
Chemical Identifiers
| CAS Number | 1024126-29-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA (CAS 1024126-29-1), with molecular formula C19H13ClF3N3O3S and molecular weight 455.03 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA
Property Insights of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA
The XLogP value of 5.32882 indicates that 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA. Following Lipinski's Rule of Five, 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA has 2 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-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA?
The CAS number of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA is 1024126-29-1.
What is the molecular formula of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA?
The molecular formula of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA is C19H13ClF3N3O3S.
What is the molecular weight of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA?
The molecular weight of 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA is 455.03 g/mol.
Where can I buy 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA?
You can request a quote for 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YLCARBONYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)THIOUREA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.