2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
TL;DR: 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (CAS 586983-20-2) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
Also Known As: 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide, 2-phenoxy-N-(4H-1,2,4-triazol-3-yl)butanamide, 2-PHENOXY-N-(1H-1,2,4-TRIAZOL-3-YL)BUTANAMIDE, N-[(3E)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene]-2-phenoxybutanamide
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.6008 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 484.0432 |
Chemical Identifiers
| CAS Number | 586983-20-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC=NN1)OC2=CC=CC=C2 |
Product Overview
2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (CAS 586983-20-2), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide.
Chemical Property Profile of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
Property Insights of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
The XLogP value of 1.6008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide. Following Lipinski's Rule of Five, 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide has 2 hydrogen bond donor(s) and 4 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 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The CAS number of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is 586983-20-2.
What is the molecular formula of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The molecular formula of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is C12H14N4O2.
What is the molecular weight of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The molecular weight of 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is 246.11 g/mol.
Where can I buy 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
You can request a quote for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.