5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile (CAS 1274947-86-2) is a chemical compound with molecular formula C19H11F4N5O2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile
Also Known As: 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile, 5-{[(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[(4-fluorophenyl)methyleneamino]-2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile, C19H11F4N5O2
| Molecular Formula | C19H11F4N5O2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 3.47468 |
| Topological Polar Surface Area | 106.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.0849 |
| Heavy Atoms | 30 |
| Complexity | 1194.3152 |
Chemical Identifiers
| CAS Number | 1274947-86-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=C(N(C(=O)N=C2C#N)C3=CC=C(C=C3)OC(F)(F)F)N)F |
Product Overview
5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile (CAS 1274947-86-2), with molecular formula C19H11F4N5O2 and molecular weight 417.08 g/mol. IUPAC: 6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carbonitrile.
Chemical Property Profile of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile
The XLogP value of 3.47468 indicates that 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile has 1 hydrogen bond donor(s) and 6 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 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile is 1274947-86-2.
What is the molecular formula of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile is C19H11F4N5O2.
What is the molecular weight of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile is 417.08 g/mol.
Where can I buy 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)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-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(4-(trifluoromethoxy)phenyl)-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.