alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
TL;DR: alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile (CAS 33132-93-3) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
Also Known As: Verapamil Impurity 30, Verapamil Impurity 33, Verapamil Impurity 34, Verapamil metabolite D-620, 5-Amino-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 33132-93-3 |
|---|---|
| SMILES | CC(C)C(CCCN)(C#N)C1=CC(=C(C=C1)OC)OC |
| InChIKey | UCWOSFAANAZHKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile (CAS 33132-93-3), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: 5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile.
Chemical Property Profile of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
Property Insights of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile. Following Lipinski's Rule of Five, alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile has 1 hydrogen bond donor(s) and 4 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 alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile?
The CAS number of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile is 33132-93-3.
What is the molecular formula of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile?
The molecular formula of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile is C16H24N2O2.
What is the molecular weight of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile?
The molecular weight of alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile is 276.18 g/mol.
Where can I buy alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile?
You can request a quote for alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.