2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate
TL;DR: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate (CAS 1025277-28-4) is a chemical compound with molecular formula C21H15ClF3N3O3 and molecular weight 449.08 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] 3-methylbenzoate
Also Known As: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate, [[amino-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 3-methylbenzoate, [[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]amino] 3-methylbenzoate, [amino(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino 3-methylbenzoate, C21H15ClF3N3O3
| Molecular Formula | C21H15ClF3N3O3 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 5.33182 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.0754 |
| Heavy Atoms | 31 |
| Complexity | 1132.7041 |
Chemical Identifiers
| CAS Number | 1025277-28-4 |
|---|---|
| SMILES | CC1=CC(=CC=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 3-methylbenzoate (CAS 1025277-28-4), with molecular formula C21H15ClF3N3O3 and molecular weight 449.08 g/mol. IUPAC: [[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]amino] 3-methylbenzoate.
Chemical Property Profile of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate
Property Insights of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate
The XLogP value of 5.33182 indicates that 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate 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 3-methylbenzoate. Following Lipinski's Rule of Five, 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate 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 3-methylbenzoate?
The CAS number of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate is 1025277-28-4.
What is the molecular formula of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate?
The molecular formula of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate is C21H15ClF3N3O3.
What is the molecular weight of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate?
The molecular weight of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate is 449.08 g/mol.
Where can I buy 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate?
You can request a quote for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate 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 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.