RefChem:218985
TL;DR: RefChem:218985 (CAS 98519-38-1) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S)-2-(1-benzofuran-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Also Known As: 1,3-Dioxolane-4-methanol, 2-(2-benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, trans-, trans-2-(2-Benzofuranyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol, [(2R,4S)-2-(1-benzofuran-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, {(2R,4S)-2-(1-Benzofuran-2-yl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methanol, RefChem:218985
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 1.285 |
| Topological Polar Surface Area | 82.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 737.04926 |
Chemical Identifiers
| CAS Number | 98519-38-1 |
|---|---|
| SMILES | C1[C@@H](O[C@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)CO |
Product Overview
RefChem:218985 (CAS 98519-38-1), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: [(2R,4S)-2-(1-benzofuran-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol.
Chemical Property Profile of RefChem:218985
Property Insights of RefChem:218985
The XLogP value of 1.285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218985. The TPSA of 82.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:218985. Following Lipinski's Rule of Five, RefChem:218985 has 1 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:218985?
The CAS number of RefChem:218985 is 98519-38-1.
What is the molecular formula of RefChem:218985?
The molecular formula of RefChem:218985 is C15H15N3O4.
What is the molecular weight of RefChem:218985?
The molecular weight of RefChem:218985 is 301.11 g/mol.
Where can I buy RefChem:218985?
You can request a quote for RefChem:218985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.