![[[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate structure](/static/products/3387/338791-58-5.webp)
[[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate
TL;DR: [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate (CAS 338791-58-5) is a chemical compound with molecular formula C15H8ClF6N3O2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[amino-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino] 3-(trifluoromethyl)benzoate
Also Known As: [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate, 3-chloro-5-(trifluoromethyl)-N'-{[3-(trifluoromethyl)benzoyl]oxy}-2-pyridinecarboximidamide
| Molecular Formula | C15H8ClF6N3O2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 4.2499 |
| Topological Polar Surface Area | 77.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.02094 |
| Heavy Atoms | 27 |
| Complexity | 895.8515 |
Chemical Identifiers
| CAS Number | 338791-58-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)ON=C(C2=C(C=C(C=N2)C(F)(F)F)Cl)N |
Product Overview
[[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate (CAS 338791-58-5), with molecular formula C15H8ClF6N3O2 and molecular weight 411.02 g/mol. IUPAC: [[amino-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate
Property Insights of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate
The XLogP value of 4.2499 indicates that [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate has 1 hydrogen bond donor(s) and 4 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 [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate?
The CAS number of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate is 338791-58-5.
What is the molecular formula of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate?
The molecular formula of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate is C15H8ClF6N3O2.
What is the molecular weight of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate?
The molecular weight of [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate is 411.02 g/mol.
Where can I buy [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate?
You can request a quote for [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.