![Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate structure](/static/products/3387/338749-65-8.webp)
Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate
TL;DR: Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate (CAS 338749-65-8) is a chemical compound with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
Also Known As: 4N-348S, methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate, Methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate, methyl 5-cyano-2-methyl-6-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carboxylate, methyl 5-cyano-2-methyl-6-[(3-phenylisoxazol-5-yl)methylamino]pyridine-3-carboxylate
| Molecular Formula | C19H16N4O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 3.3154 |
| Topological Polar Surface Area | 101.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.12225 |
| Heavy Atoms | 26 |
| Complexity | 974.19446 |
Chemical Identifiers
| CAS Number | 338749-65-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)NCC2=CC(=NO2)C3=CC=CC=C3)C#N)C(=O)OC |
Product Overview
Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate (CAS 338749-65-8), with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol. IUPAC: methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate
Property Insights of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate
The XLogP value of 3.3154 indicates that Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate. Following Lipinski's Rule of Five, Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate 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 Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate?
The CAS number of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate is 338749-65-8.
What is the molecular formula of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate?
The molecular formula of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate is C19H16N4O3.
What is the molecular weight of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate?
The molecular weight of Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate is 348.12 g/mol.
Where can I buy Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate?
You can request a quote for Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-2-methyl-6-{[(3-phenyl-5-isoxazolyl)methyl]amino}nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.