RefChem:236970
TL;DR: RefChem:236970 (CAS 98532-72-0) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-, cis-1-((2-(2-Benzofuranyl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-phenoxymethyl-1,3-dioxolan, 1-{[2-(1-Benzofuran-2-yl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole, trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-phenoxymethyl-1,3-dioxolan
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.3717 |
| Topological Polar Surface Area | 71.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 1014.9158 |
Chemical Identifiers
| CAS Number | 98532-72-0 |
|---|---|
| SMILES | C1[C@H](O[C@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)COC5=CC=CC=C5 |
Product Overview
RefChem:236970 (CAS 98532-72-0), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: 1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-(phenoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236970
Property Insights of RefChem:236970
The XLogP value of 3.3717 indicates that RefChem:236970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236970. Following Lipinski's Rule of Five, RefChem:236970 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:236970?
The CAS number of RefChem:236970 is 98532-72-0.
What is the molecular formula of RefChem:236970?
The molecular formula of RefChem:236970 is C21H19N3O4.
What is the molecular weight of RefChem:236970?
The molecular weight of RefChem:236970 is 377.14 g/mol.
Where can I buy RefChem:236970?
You can request a quote for RefChem:236970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236970?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.