2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate
TL;DR: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate (CAS 1025255-73-5) is a chemical compound with molecular formula C24H21ClF3N3O3 and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]amino] 4-tert-butylbenzoate
Also Known As: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate, [[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]amino] 4-tert-butylbenzoate, [[amino-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-tert-butylbenzoate, C24H21ClF3N3O3
| Molecular Formula | C24H21ClF3N3O3 |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 6.3209 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.12234 |
| Heavy Atoms | 34 |
| Complexity | 1203.3633 |
Chemical Identifiers
| CAS Number | 1025255-73-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)ON=C(C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)N |
Product Overview
2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate (CAS 1025255-73-5), with molecular formula C24H21ClF3N3O3 and molecular weight 491.12 g/mol. IUPAC: [[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]amino] 4-tert-butylbenzoate.
Chemical Property Profile of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate
Property Insights of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate
The XLogP value of 6.3209 indicates that 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate. Following Lipinski's Rule of Five, 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate has 1 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 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate?
The CAS number of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate is 1025255-73-5.
What is the molecular formula of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate?
The molecular formula of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate is C24H21ClF3N3O3.
What is the molecular weight of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate?
The molecular weight of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate is 491.12 g/mol.
Where can I buy 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate?
You can request a quote for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 4-(tert-butyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.