5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1159976-59-6) is a chemical compound with molecular formula C24H14ClF3N6O2 and molecular weight 510.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile, 5-[(E)-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methyleneamino]-2-oxo-1-phenyl-pyrimidine-4-carbonitrile, C24H14ClF3N6O2
| Molecular Formula | C24H14ClF3N6O2 |
|---|---|
| Molecular Weight | 510.08 g/mol |
| LogP | 5.29648 |
| Topological Polar Surface Area | 119.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.08188 |
| Heavy Atoms | 36 |
| Complexity | 1546.0985 |
Chemical Identifiers
| CAS Number | 1159976-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl)N |
Product Overview
5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1159976-59-6), with molecular formula C24H14ClF3N6O2 and molecular weight 510.08 g/mol. IUPAC: 6-amino-5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
The XLogP value of 5.29648 indicates that 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 1159976-59-6.
What is the molecular formula of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is C24H14ClF3N6O2.
What is the molecular weight of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 510.08 g/mol.
Where can I buy 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.