Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-
TL;DR: Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- (CAS 14780-12-2) is a chemical compound with molecular formula C18H28N2 and molecular weight 272.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanenitrile
Also Known As: 4-(Dimethylamino)-2-isopropyl-2-(p-propylphenyl)butyronitrile, BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-(p-PROPYLPHENYL)-, 2-(2-dimethylaminoethyl)-3-methyl-2-(4-propylphenyl)butanenitrile, 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanenitrile, BRN 2127461
| Molecular Formula | C18H28N2 |
|---|---|
| Molecular Weight | 272.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.22525 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 14780-12-2 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C |
| InChIKey | RCEYYUXZDFAAHA-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- (CAS 14780-12-2), with molecular formula C18H28N2 and molecular weight 272.23 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanenitrile.
Chemical Property Profile of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-
Property Insights of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-
The XLogP value of 4.5 indicates that Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- has 0 hydrogen bond donor(s) and 2 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 Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-?
The CAS number of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- is 14780-12-2.
What is the molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-?
The molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- is C18H28N2.
What is the molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-?
The molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- is 272.23 g/mol.
Where can I buy Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-?
You can request a quote for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.