Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-
TL;DR: Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- (CAS 2809-45-2) is a chemical compound with molecular formula C15H22N2 and molecular weight 230.18 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-phenylbutanenitrile
Also Known As: 4-(Dimethylamino)-2-isopropyl-2-phenylbutyronitrile, BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-PHENYL-, 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylbutanenitrile, 2-(2-dimethylaminoethyl)-3-methyl-2-phenylbutanenitrile, 2-(2-DIMETHYLAMINOETHYL)-3-METHYL-2-PHENYL-BUTANENITRILE
| Molecular Formula | C15H22N2 |
|---|---|
| Molecular Weight | 230.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.1783 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 2809-45-2 |
|---|---|
| SMILES | CC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1 |
| InChIKey | JDFNKNOHDAMUJN-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- (CAS 2809-45-2), with molecular formula C15H22N2 and molecular weight 230.18 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylbutanenitrile.
Chemical Property Profile of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-
Property Insights of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-
The XLogP value of 3.2 indicates that Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- 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-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- 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-phenyl-?
The CAS number of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- is 2809-45-2.
What is the molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-?
The molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- is C15H22N2.
What is the molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-?
The molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- is 230.18 g/mol.
Where can I buy Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-?
You can request a quote for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.