RefChem:236980
TL;DR: RefChem:236980 (CAS 98532-76-4) is a chemical compound with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;nitric acid
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, mononitrate, 1-((2-(2-Benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole mononitrate, Nitrat von 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-dimethyl-1,3-dioxan, 1-((2-(2-BENZOFURANYL)-5,5-DIMETHYL-1,3-DIOXAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE NITRATE, 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole; nitric acid
| Molecular Formula | C17H20N4O6 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13828 |
| Heavy Atoms | 27 |
| Complexity | 858.19415 |
Chemical Identifiers
| CAS Number | 98532-76-4 |
|---|---|
| SMILES | CC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C.[N+](=O)(O)[O-] |
Product Overview
RefChem:236980 (CAS 98532-76-4), with molecular formula C17H20N4O6 and molecular weight 376.14 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;nitric acid.
Chemical Property Profile of RefChem:236980
Property Insights of RefChem:236980
The XLogP value of 2.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236980. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236980. Following Lipinski's Rule of Five, RefChem:236980 has 1 hydrogen bond donor(s) and 7 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 RefChem:236980?
The CAS number of RefChem:236980 is 98532-76-4.
What is the molecular formula of RefChem:236980?
The molecular formula of RefChem:236980 is C17H20N4O6.
What is the molecular weight of RefChem:236980?
The molecular weight of RefChem:236980 is 376.14 g/mol.
Where can I buy RefChem:236980?
You can request a quote for RefChem:236980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.