RefChem:236967
TL;DR: RefChem:236967 (CAS 98519-29-0) is a chemical compound with molecular formula C17H19N3O4 and molecular weight 329.14 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-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-, trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethoxymethyl-1,3-dioxolan, trans-1-((2-(2-Benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-{[(2R,4S)-2-(1-Benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C17H19N3O4 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 2.3292 |
| Topological Polar Surface Area | 71.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.13754 |
| Heavy Atoms | 24 |
| Complexity | 768.143 |
Chemical Identifiers
| CAS Number | 98519-29-0 |
|---|---|
| SMILES | CCOC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3 |
Product Overview
RefChem:236967 (CAS 98519-29-0), with molecular formula C17H19N3O4 and molecular weight 329.14 g/mol. IUPAC: 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236967
Property Insights of RefChem:236967
The XLogP value of 2.3292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236967. The TPSA of 71.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236967. Following Lipinski's Rule of Five, RefChem:236967 has 0 hydrogen bond donor(s) and 6 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:236967?
The CAS number of RefChem:236967 is 98519-29-0.
What is the molecular formula of RefChem:236967?
The molecular formula of RefChem:236967 is C17H19N3O4.
What is the molecular weight of RefChem:236967?
The molecular weight of RefChem:236967 is 329.14 g/mol.
Where can I buy RefChem:236967?
You can request a quote for RefChem:236967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.