RefChem:236965
TL;DR: RefChem:236965 (CAS 98532-74-2) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1-((2-(2-Benzofuranyl)-4,5-dimethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,5-dimethyl-1,3-dioxolan-2-yl)methyl)-, 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,5-dimethyl-1,3-dioxolan [German], 2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,5-dimethyl-1,3-dioxolan, 1-[[2-(1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.7011 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 737.89905 |
Chemical Identifiers
| CAS Number | 98532-74-2 |
|---|---|
| SMILES | CC1C(OC(O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C |
Product Overview
RefChem:236965 (CAS 98532-74-2), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236965
Property Insights of RefChem:236965
The XLogP value of 2.7011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236965. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236965. Following Lipinski's Rule of Five, RefChem:236965 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:236965?
The CAS number of RefChem:236965 is 98532-74-2.
What is the molecular formula of RefChem:236965?
The molecular formula of RefChem:236965 is C16H17N3O3.
What is the molecular weight of RefChem:236965?
The molecular weight of RefChem:236965 is 299.13 g/mol.
Where can I buy RefChem:236965?
You can request a quote for RefChem:236965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236965?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.