1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile
TL;DR: 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile (CAS 90772-69-3) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: J2.339.589D, 1-(benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile, 1-(benzylideneamino)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 4,6-dimethyl-2-oxo-1-[(phenylmethylidene)amino]-1,2-dihydropyridine-3-carbonitrile, 1-(benzylideneamino)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.21902 |
| Topological Polar Surface Area | 58.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 721.5364 |
Chemical Identifiers
| CAS Number | 90772-69-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1/N=C/C2=CC=CC=C2)C#N)C |
Product Overview
1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile (CAS 90772-69-3), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile
Property Insights of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile
The XLogP value of 2.21902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile. With a topological polar surface area (TPSA) of 58.15 Ų, 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile has 0 hydrogen bond donor(s) and 3 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-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile?
The CAS number of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile is 90772-69-3.
What is the molecular formula of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile?
The molecular formula of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile is C15H13N3O.
What is the molecular weight of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile?
The molecular weight of 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile is 251.11 g/mol.
Where can I buy 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile?
You can request a quote for 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.