Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-
TL;DR: Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- (CAS 1224-39-1) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
Also Known As: 3-Methyl-2-(2-morpholinoethyl)-2-phenylbutyronitrile, Pentane, 3-cyano-2-methyl-5-morpholino-3-phenyl, Butyronitrile, 2-isopropyl-4-morpholino-2-phenyl-, BUTYRONITRILE, 3-METHYL-2-(2-MORPHOLINOETHYL)-2-PHENYL-, 3-methyl-2-[2-(morpholin-4-yl)ethyl]-2-phenylbutanenitrile
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 1224-39-1 |
|---|---|
| SMILES | CC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC=C2 |
| InChIKey | PUJOAWZWLJQUCU-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- (CAS 1224-39-1), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: 3-methyl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile.
Chemical Property Profile of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-
Property Insights of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-. With a topological polar surface area (TPSA) of 36.3 Ų, Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- has 0 hydrogen bond donor(s) and 3 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, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-?
The CAS number of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- is 1224-39-1.
What is the molecular formula of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-?
The molecular formula of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- is C17H24N2O.
What is the molecular weight of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-?
The molecular weight of Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- is 272.19 g/mol.
Where can I buy Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-?
You can request a quote for Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-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, 3-methyl-2-(2-morpholinoethyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 3-methyl-2-(2-morpholinoethyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.