![5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile structure](/static/products/3387/338749-67-0.webp)
5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile
TL;DR: 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile (CAS 338749-67-0) is a chemical compound with molecular formula C19H16N4O2 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carbonitrile
Also Known As: 5-acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile, 5-acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-[(3-phenylisoxazol-5-yl)methylamino]pyridine-3-carbonitrile, 5-Acetyl-6-methyl-2-[[(3-phenyl-5-isoxazolyl)methyl]amino]-3-pyridinecarbonitrile
| Molecular Formula | C19H16N4O2 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 3.7314 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.12732 |
| Heavy Atoms | 25 |
| Complexity | 955.3006 |
Chemical Identifiers
| CAS Number | 338749-67-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)NCC2=CC(=NO2)C3=CC=CC=C3)C#N)C(=O)C |
Product Overview
5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile (CAS 338749-67-0), with molecular formula C19H16N4O2 and molecular weight 332.13 g/mol. IUPAC: 5-acetyl-6-methyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile
Property Insights of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile
The XLogP value of 3.7314 indicates that 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile. Following Lipinski's Rule of Five, 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile 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-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile?
The CAS number of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile is 338749-67-0.
What is the molecular formula of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile?
The molecular formula of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile is C19H16N4O2.
What is the molecular weight of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile?
The molecular weight of 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile is 332.13 g/mol.
Where can I buy 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile?
You can request a quote for 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-6-methyl-2-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.