((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate
TL;DR: ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate (CAS 134880-88-9) is a chemical compound with molecular formula C16H8ClF9N2O3S and molecular weight 513.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl acetate
Also Known As: ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate, [[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl acetate, {N-[5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamido}methyl acetate
| Molecular Formula | C16H8ClF9N2O3S |
|---|---|
| Molecular Weight | 513.98 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.98004 |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 134880-88-9 |
|---|---|
| SMILES | CC(=O)OCN(C1=NC(=C(S1)Cl)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | OEKLUMKAQOTTOH-UHFFFAOYSA-N |
Product Overview
((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate (CAS 134880-88-9), with molecular formula C16H8ClF9N2O3S and molecular weight 513.98 g/mol. IUPAC: [[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl acetate.
Chemical Property Profile of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate
Property Insights of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate
The XLogP value of 5.9 indicates that ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate. Following Lipinski's Rule of Five, ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate?
The CAS number of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate is 134880-88-9.
What is the molecular formula of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate?
The molecular formula of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate is C16H8ClF9N2O3S.
What is the molecular weight of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate?
The molecular weight of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate is 513.98 g/mol.
Where can I buy ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate?
You can request a quote for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.