Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
TL;DR: Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- (CAS 14780-13-3) 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-propan-2-ylphenyl)butanenitrile
Also Known As: 2-(p-Cumenyl)-4-(dimethylamino)-2-isopropylbutyronitrile, BUTYRONITRILE, 2-(p-CUMENYL)-4-(DIMETHYLAMINO)-2-ISOPROPYL-, 2-(2-dimethylaminoethyl)-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile, 2-[2-(dimethylamino)ethyl]-3-methyl-2-[4-(propan-2-yl)phenyl]butanenitrile, BRN 2127925
| Molecular Formula | C18H28N2 |
|---|---|
| Molecular Weight | 272.23 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.22525 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 14780-13-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C |
| InChIKey | KTUSQCQBTLVXLJ-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- (CAS 14780-13-3), with molecular formula C18H28N2 and molecular weight 272.23 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile.
Chemical Property Profile of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
Property Insights of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
The XLogP value of 4.3 indicates that Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- 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, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- 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, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-?
The CAS number of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- is 14780-13-3.
What is the molecular formula of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-?
The molecular formula of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- is C18H28N2.
What is the molecular weight of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-?
The molecular weight of Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- is 272.23 g/mol.
Where can I buy Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-?
You can request a quote for Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.