5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1274947-87-3) is a chemical compound with molecular formula C18H13N5O3 and molecular weight 347.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-5-[(3,4-dihydroxyphenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[(3,4-dihydroxyphenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile, 6-amino-5-[(3,4-dihydroxyphenyl)methyleneamino]-2-oxo-1-phenyl-pyrimidine-4-carbonitrile, 5-{[(3,4-dihydroxyphenyl)methylidene]amino}-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Technical Specifications
| Molecular Formula | C18H13N5O3 |
| Molecular Weight | 347.10184 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10184 Da |
| Heavy Atoms | 26 |
| Complexity | 699.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC(=C(C=C3)O)O)N |
| InChIKey | KXKIYMKSXZYDGC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 1274947-87-3.
What is the molecular formula of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is C18H13N5O3.
What is the molecular weight of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 347.10184 g/mol.
Where can I buy 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-aza-2-(3,4-dihydroxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(1-aza-2-(3,4-dihydroxyphenyl)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.