RefChem:236963
TL;DR: RefChem:236963 (CAS 98532-82-2) is a chemical compound with molecular formula C18H21N3O3 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,6S)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-, cis-, cis-1-((2-(2-Benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan [German], cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan, 1-{[2-(1-Benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C18H21N3O3 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 3.4813 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1583 |
| Heavy Atoms | 24 |
| Complexity | 807.20105 |
Chemical Identifiers
| CAS Number | 98532-82-2 |
|---|---|
| SMILES | C[C@H]1CC(O[C@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C |
Product Overview
RefChem:236963 (CAS 98532-82-2), with molecular formula C18H21N3O3 and molecular weight 327.16 g/mol. IUPAC: 1-[[(2R,6S)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236963
Property Insights of RefChem:236963
The XLogP value of 3.4813 indicates that RefChem:236963 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:236963. Following Lipinski's Rule of Five, RefChem:236963 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:236963?
The CAS number of RefChem:236963 is 98532-82-2.
What is the molecular formula of RefChem:236963?
The molecular formula of RefChem:236963 is C18H21N3O3.
What is the molecular weight of RefChem:236963?
The molecular weight of RefChem:236963 is 327.16 g/mol.
Where can I buy RefChem:236963?
You can request a quote for RefChem:236963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236963?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.