![1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile structure](/static/products/3031/303148-49-4.webp)
1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile
TL;DR: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile (CAS 303148-49-4) is a chemical compound with molecular formula C16H14ClF3N6O2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile
Also Known As: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(methoxyimino)ethyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile
| Molecular Formula | C16H14ClF3N6O2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 2.46898 |
| Topological Polar Surface Area | 105.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.08188 |
| Heavy Atoms | 28 |
| Complexity | 968.31775 |
Chemical Identifiers
| CAS Number | 303148-49-4 |
|---|---|
| SMILES | CON=CCC1=C(C(=O)N=CN1CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile (CAS 303148-49-4), with molecular formula C16H14ClF3N6O2 and molecular weight 414.08 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile
Property Insights of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile
The XLogP value of 2.46898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile. The TPSA of 105.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 7 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 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile?
The CAS number of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile is 303148-49-4.
What is the molecular formula of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile?
The molecular formula of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile is C16H14ClF3N6O2.
What is the molecular weight of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile?
The molecular weight of 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile is 414.08 g/mol.
Where can I buy 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile?
You can request a quote for 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(2-methoxyiminoethyl)-4-oxopyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.