N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
TL;DR: N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide (CAS 687575-03-7) is a chemical compound with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide
Also Known As: SDCCGMLS-0065519.P001, N-(5-methyl-1,2-oxazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide, N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide, N-(5-methyl-1,2-oxazol-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide, N-(5-methylisoxazol-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
| Molecular Formula | C10H12N6O4 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.092 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 687575-03-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | JYRLEEPIDYMMGK-UHFFFAOYSA-N |
Product Overview
N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide (CAS 687575-03-7), with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide.
Chemical Property Profile of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Property Insights of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide. Following Lipinski's Rule of Five, N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide 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 N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide?
The CAS number of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide is 687575-03-7.
What is the molecular formula of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide?
The molecular formula of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide is C10H12N6O4.
What is the molecular weight of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide?
The molecular weight of N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide is 280.09 g/mol.
Where can I buy N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide?
You can request a quote for N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-3-isoxazolyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.