RefChem:236991
TL;DR: RefChem:236991 (CAS 98519-02-9) is a chemical compound with molecular formula C18H19Cl2N3O4 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4R)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(propoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-, 1-[[(2R,4R)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-{[(2R,4R)-2-(5,7-Dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole, 1-{[2-(5,7-Dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole, RefChem:236991
| Molecular Formula | C18H19Cl2N3O4 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.0261 |
| Topological Polar Surface Area | 71.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.07526 |
| Heavy Atoms | 27 |
| Complexity | 914.8675 |
Chemical Identifiers
| CAS Number | 98519-02-9 |
|---|---|
| SMILES | CCCOC[C@@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl |
Product Overview
RefChem:236991 (CAS 98519-02-9), with molecular formula C18H19Cl2N3O4 and molecular weight 411.08 g/mol. IUPAC: 1-[[(2R,4R)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236991
Property Insights of RefChem:236991
The XLogP value of 4.0261 indicates that RefChem:236991 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:236991. Following Lipinski's Rule of Five, RefChem:236991 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:236991?
The CAS number of RefChem:236991 is 98519-02-9.
What is the molecular formula of RefChem:236991?
The molecular formula of RefChem:236991 is C18H19Cl2N3O4.
What is the molecular weight of RefChem:236991?
The molecular weight of RefChem:236991 is 411.08 g/mol.
Where can I buy RefChem:236991?
You can request a quote for RefChem:236991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236991?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.