Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester
TL;DR: Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester (CAS 134880-89-0) is a chemical compound with molecular formula C23H8ClF15N2O3S and molecular weight 711.97 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 3,5-bis(trifluoromethyl)benzoate
Also Known As: Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester, [[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl 3,5-bis(trifluoromethyl)benzoate, {N-[5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamido}methyl 3,5-bis(trifluoromethyl)benzoate, Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester
| Molecular Formula | C23H8ClF15N2O3S |
|---|---|
| Molecular Weight | 711.97 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 711.97046 |
| Heavy Atoms | 45 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 134880-89-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N(COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC(=C(S3)Cl)C(F)(F)F |
| InChIKey | YTJBYLPUTMFOPT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester (CAS 134880-89-0), with molecular formula C23H8ClF15N2O3S and molecular weight 711.97 g/mol. IUPAC: [[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl 3,5-bis(trifluoromethyl)benzoate.
Chemical Property Profile of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester
Property Insights of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester
The XLogP value of 9.4 indicates that Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester 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 Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester?
The CAS number of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester is 134880-89-0.
What is the molecular formula of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester?
The molecular formula of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester is C23H8ClF15N2O3S.
What is the molecular weight of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester?
The molecular weight of Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester is 711.97 g/mol.
Where can I buy Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester?
You can request a quote for Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-bis(trifluoromethyl)-, ((3,5-bis(trifluoromethyl)benzoyl)(5-chloro-4-(trifluoromethyl)-2-thiazolyl)amino)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.