RefChem:236990
TL;DR: RefChem:236990 (CAS 98519-31-4) is a chemical compound with molecular formula C17H17Cl2N3O4 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4S)-2-(5,7-dichloro-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-(5,7-dichloro-2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-, trans-2-(5,7-Dichlorbenzofuran-2-yl)-2-(1-(1H-as-triazolyl)methyl)-4-ethoxymethyl-1,3-dioxolan, trans-1-((2-(5,7-Dichloro-2-benzofuranyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-{[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C17H17Cl2N3O4 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 3.636 |
| Topological Polar Surface Area | 71.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0596 |
| Heavy Atoms | 26 |
| Complexity | 898.9402 |
Chemical Identifiers
| CAS Number | 98519-31-4 |
|---|---|
| SMILES | CCOC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl |
Product Overview
RefChem:236990 (CAS 98519-31-4), with molecular formula C17H17Cl2N3O4 and molecular weight 397.06 g/mol. IUPAC: 1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236990
Property Insights of RefChem:236990
The XLogP value of 3.636 indicates that RefChem:236990 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:236990. Following Lipinski's Rule of Five, RefChem:236990 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:236990?
The CAS number of RefChem:236990 is 98519-31-4.
What is the molecular formula of RefChem:236990?
The molecular formula of RefChem:236990 is C17H17Cl2N3O4.
What is the molecular weight of RefChem:236990?
The molecular weight of RefChem:236990 is 397.06 g/mol.
Where can I buy RefChem:236990?
You can request a quote for RefChem:236990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.