![2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile structure](/static/products/6723/67237-80-3.webp)
2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile
TL;DR: 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile (CAS 67237-80-3) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl]benzonitrile
Also Known As: 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile, 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl]benzoni, 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl]benzonitrile
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 67237-80-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(OCCO2)CC3=CC=CC=C3C#N)OC |
| InChIKey | UFLDAQGAYLYHPO-UHFFFAOYSA-N |
Product Overview
2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile (CAS 67237-80-3), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl]benzonitrile.
Chemical Property Profile of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile
Property Insights of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile. Following Lipinski's Rule of Five, 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile 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 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile?
The CAS number of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile is 67237-80-3.
What is the molecular formula of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile?
The molecular formula of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile is C19H19NO4.
What is the molecular weight of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile?
The molecular weight of 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile is 325.13 g/mol.
Where can I buy 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile?
You can request a quote for 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,4-Dimethoxyphenyl)-1,3-dioxolan-2-yl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.