RefChem:236997
TL;DR: RefChem:236997 (CAS 98532-69-5) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1-((2- -1H-1,2,4-triazole, 1-((2-(5,7-Dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(5,7-dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-, 2-(5,7-Dimethoxy-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxolan [German], 2-(5,7-Dimethoxy-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxolan
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.9413 |
| Topological Polar Surface Area | 80.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 836.89514 |
Chemical Identifiers
| CAS Number | 98532-69-5 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)C=C(O2)C3(OCCO3)CN4C=NC=N4)OC |
Product Overview
RefChem:236997 (CAS 98532-69-5), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236997
Property Insights of RefChem:236997
The XLogP value of 1.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236997. The TPSA of 80.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236997. Following Lipinski's Rule of Five, RefChem:236997 has 0 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:236997?
The CAS number of RefChem:236997 is 98532-69-5.
What is the molecular formula of RefChem:236997?
The molecular formula of RefChem:236997 is C16H17N3O5.
What is the molecular weight of RefChem:236997?
The molecular weight of RefChem:236997 is 331.12 g/mol.
Where can I buy RefChem:236997?
You can request a quote for RefChem:236997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236997?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.