1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol
TL;DR: 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol (CAS 728024-46-2) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-1-(3-methylphenyl)triazol-4-yl]methanol
Also Known As: ZERO/005415, 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol, 1H-1,2,3-Triazole-4,5-dimethanol, 1-(3-methylphenyl)-, [1-(3-methylphenyl)-1H-1,2,3-triazole-4,5-diyl]dimethanol, [5-(hydroxymethyl)-1-(m-tolyl)triazol-4-yl]methanol
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 0.56032 |
| Topological Polar Surface Area | 71.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 493.72495 |
Chemical Identifiers
| CAS Number | 728024-46-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(N=N2)CO)CO |
Product Overview
1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol (CAS 728024-46-2), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: [5-(hydroxymethyl)-1-(3-methylphenyl)triazol-4-yl]methanol.
Chemical Property Profile of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol
Property Insights of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol
The XLogP value of 0.56032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol. The TPSA of 71.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol 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 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol?
The CAS number of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol is 728024-46-2.
What is the molecular formula of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol?
The molecular formula of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol is C11H13N3O2.
What is the molecular weight of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol?
The molecular weight of 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol is 219.10 g/mol.
Where can I buy 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol?
You can request a quote for 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-1H-1,2,3-triazole-4,5-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.