N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 684237-59-0) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butan-2-yl-2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-(5-butan-2-yl-2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide, N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide, N-(2-hydroxy-5-sec-butyl-phenyl)-1H-1,2,4-triazole-5-carboxamide, 1H-1,2,4-Triazole-3-carboxamide, N-[2-hydroxy-5-(1-methylpropyl)phenyl]-, N-(5-butan-2-yl-2-oxidanyl-phenyl)-1H-1,2,4-triazole-5-carboxamide
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 2.2761 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 566.0271 |
Chemical Identifiers
| CAS Number | 684237-59-0 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)NC(=O)C2=NC=NN2 |
Product Overview
N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 684237-59-0), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: N-(5-butan-2-yl-2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 2.2761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide has 3 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 N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide is 684237-59-0.
What is the molecular formula of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide is C13H16N4O2.
What is the molecular weight of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide is 260.13 g/mol.
Where can I buy N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-sec-butyl-2-hydroxyphenyl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.