1,2,4-Triazole-3,5-dimethanol, 1-benzyl-
TL;DR: 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- (CAS 125228-40-2) 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.
[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
Also Known As: IFLab1_000938, N-benzyl-3,5-bis(hydroxymethyl)-1,2,4-triazole, 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-, (1-benzyl-1H-1,2,4-triazole-3,5-diyl)dimethanol, [1-BENZYL-3-(HYDROXYMETHYL)-1H-1,2,4-TRIAZOL-5-YL]METHANOL
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 125228-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC(=N2)CO)CO |
| InChIKey | JBPPBQNBQDIYNX-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazole-3,5-dimethanol, 1-benzyl- (CAS 125228-40-2), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: [1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol.
Chemical Property Profile of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-
Property Insights of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-
The XLogP value of -0.1 indicates that 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-. Following Lipinski's Rule of Five, 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- 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 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-?
The CAS number of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- is 125228-40-2.
What is the molecular formula of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-?
The molecular formula of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- is C11H13N3O2.
What is the molecular weight of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-?
The molecular weight of 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- is 219.10 g/mol.
Where can I buy 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-?
You can request a quote for 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazole-3,5-dimethanol, 1-benzyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazole-3,5-dimethanol, 1-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.