1-((2-1h-1,2,4-triazolemonohydrochloride
TL;DR: 1-((2-1h-1,2,4-triazolemonohydrochloride (CAS 98518-98-0) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;hydrochloride
Also Known As: 1-((2-1h-1,2,4-triazolemonohydrochloride, 1-((2- -1H-1,2,4-triazolemonohydrochloride, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride, 1-((2-(2-Benzofuranyl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole monohydrochloride, 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole hydrochloride
| Molecular Formula | C15H16ClN3O3 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.736 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.088 |
| Heavy Atoms | 22 |
| Complexity | 702.4232 |
Chemical Identifiers
| CAS Number | 98518-98-0 |
|---|---|
| SMILES | C1COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3.Cl |
Product Overview
1-((2-1h-1,2,4-triazolemonohydrochloride (CAS 98518-98-0), with molecular formula C15H16ClN3O3 and molecular weight 321.09 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;hydrochloride.
Chemical Property Profile of 1-((2-1h-1,2,4-triazolemonohydrochloride
Property Insights of 1-((2-1h-1,2,4-triazolemonohydrochloride
The XLogP value of 2.736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-1h-1,2,4-triazolemonohydrochloride. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-1h-1,2,4-triazolemonohydrochloride. Following Lipinski's Rule of Five, 1-((2-1h-1,2,4-triazolemonohydrochloride has 0 hydrogen bond donor(s) and 5 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-((2-1h-1,2,4-triazolemonohydrochloride?
The CAS number of 1-((2-1h-1,2,4-triazolemonohydrochloride is 98518-98-0.
What is the molecular formula of 1-((2-1h-1,2,4-triazolemonohydrochloride?
The molecular formula of 1-((2-1h-1,2,4-triazolemonohydrochloride is C15H16ClN3O3.
What is the molecular weight of 1-((2-1h-1,2,4-triazolemonohydrochloride?
The molecular weight of 1-((2-1h-1,2,4-triazolemonohydrochloride is 321.09 g/mol.
Where can I buy 1-((2-1h-1,2,4-triazolemonohydrochloride?
You can request a quote for 1-((2-1h-1,2,4-triazolemonohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-1h-1,2,4-triazolemonohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-1h-1,2,4-triazolemonohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.