RefChem:236976
TL;DR: RefChem:236976 (CAS 98519-49-4) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-, trans-1-((2-(2-Benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, cis-, 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.3126 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 719.46783 |
Chemical Identifiers
| CAS Number | 98519-49-4 |
|---|---|
| SMILES | C[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3 |
Product Overview
RefChem:236976 (CAS 98519-49-4), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236976
Property Insights of RefChem:236976
The XLogP value of 2.3126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236976. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236976. Following Lipinski's Rule of Five, RefChem:236976 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 RefChem:236976?
The CAS number of RefChem:236976 is 98519-49-4.
What is the molecular formula of RefChem:236976?
The molecular formula of RefChem:236976 is C15H15N3O3.
What is the molecular weight of RefChem:236976?
The molecular weight of RefChem:236976 is 285.11 g/mol.
Where can I buy RefChem:236976?
You can request a quote for RefChem:236976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236976?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.