2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
TL;DR: 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CAS 130000-41-8) is a chemical compound with molecular formula C12H5Br3F3N3O3S and molecular weight 564.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Also Known As: 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide, 5-Thiazolecarboxamide, 2-methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-, Butanoic acid,2-chloro-2-ethyl-3-oxo-,ethyl ester, 2-methyl-N-(2,4,6-tribromo-3-nitro-phenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
| Molecular Formula | C12H5Br3F3N3O3S |
|---|---|
| Molecular Weight | 564.76 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 564.7554 |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 130000-41-8 |
|---|---|
| SMILES | CC1=NC(=C(S1)C(=O)NC2=C(C(=C(C=C2Br)Br)[N+](=O)[O-])Br)C(F)(F)F |
| InChIKey | GXSPPFGFGSTSEM-UHFFFAOYSA-N |
Product Overview
2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CAS 130000-41-8), with molecular formula C12H5Br3F3N3O3S and molecular weight 564.76 g/mol. IUPAC: 2-methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Property Insights of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
The XLogP value of 5.3 indicates that 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The CAS number of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is 130000-41-8.
What is the molecular formula of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The molecular formula of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is C12H5Br3F3N3O3S.
What is the molecular weight of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The molecular weight of 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is 564.76 g/mol.
Where can I buy 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
You can request a quote for 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-N-(2,4,6-tribromo-3-nitrophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.