N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 684236-14-4) 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.
N-(2-hydroxy-5-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide, N-(2-hydroxy-5-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxamide, 1H-1,2,4-Triazole-3-carboxamide, N-[2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.886 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 549.20996 |
Chemical Identifiers
| CAS Number | 684236-14-4 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)O)NC(=O)C2=NC=NN2 |
Product Overview
N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 684236-14-4), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: N-(2-hydroxy-5-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 1.886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxy-5-isopropylphenyl)-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-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-hydroxy-5-isopropylphenyl)-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-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide is 684236-14-4.
What is the molecular formula of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide is C12H14N4O2.
What is the molecular weight of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide is 246.11 g/mol.
Where can I buy N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(2-hydroxy-5-isopropylphenyl)-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-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.