RefChem:237000
TL;DR: RefChem:237000 (CAS 98519-43-8) is a chemical compound with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4R)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, cis-, cis-1-((2-(5-Chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, cis-2-(5-Chloro-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan, 1-{[2-(5-Chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole, 1-[[(2R,4R)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
| Molecular Formula | C16H16ClN3O3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 3.3561 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.088 |
| Heavy Atoms | 23 |
| Complexity | 817.2096 |
Chemical Identifiers
| CAS Number | 98519-43-8 |
|---|---|
| SMILES | CC[C@@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=C(O3)C=CC(=C4)Cl |
Product Overview
RefChem:237000 (CAS 98519-43-8), with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol. IUPAC: 1-[[(2R,4R)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:237000
Property Insights of RefChem:237000
The XLogP value of 3.3561 indicates that RefChem:237000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:237000. Following Lipinski's Rule of Five, RefChem:237000 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:237000?
The CAS number of RefChem:237000 is 98519-43-8.
What is the molecular formula of RefChem:237000?
The molecular formula of RefChem:237000 is C16H16ClN3O3.
What is the molecular weight of RefChem:237000?
The molecular weight of RefChem:237000 is 333.09 g/mol.
Where can I buy RefChem:237000?
You can request a quote for RefChem:237000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.