RefChem:236979
TL;DR: RefChem:236979 (CAS 98710-86-2) is a chemical compound with molecular formula C17H21CuN3O8S and molecular weight 490.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;sulfate;hydrate
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, compd. with copper (2+) sulfate (1:1:1), Copper 1-[(2-benzofuran-2-yl-5,5-dimethyl-1,3-dioxan-2-yl)methyl]-1,2,4-triazole Sulfate Hydrate, copper 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole sulfate hydrate, Copper(2+) sulfate--1-{[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole--water (1/1/1/1), RefChem:236979
| Molecular Formula | C17H21CuN3O8S |
|---|---|
| Molecular Weight | 490.03 g/mol |
| LogP | 0.7851 |
| Topological Polar Surface Area | 174.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.03455 |
| Heavy Atoms | 30 |
| Complexity | 985.4012 |
Chemical Identifiers
| CAS Number | 98710-86-2 |
|---|---|
| SMILES | CC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C.O.[O-]S(=O)(=O)[O-].[Cu+2] |
Product Overview
RefChem:236979 (CAS 98710-86-2), with molecular formula C17H21CuN3O8S and molecular weight 490.03 g/mol. IUPAC: copper;1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole;sulfate;hydrate.
Chemical Property Profile of RefChem:236979
Property Insights of RefChem:236979
The XLogP value of 0.7851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236979. The TPSA of 174.07 Ų indicates high polarity, suggesting RefChem:236979 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:236979 has 0 hydrogen bond donor(s) and 9 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:236979?
The CAS number of RefChem:236979 is 98710-86-2.
What is the molecular formula of RefChem:236979?
The molecular formula of RefChem:236979 is C17H21CuN3O8S.
What is the molecular weight of RefChem:236979?
The molecular weight of RefChem:236979 is 490.03 g/mol.
Where can I buy RefChem:236979?
You can request a quote for RefChem:236979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236979?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.