Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-
TL;DR: Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- (CAS 2809-47-4) is a chemical compound with molecular formula C16H25N3 and molecular weight 259.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile
Also Known As: Pethidine impurity 9, Pethidine Impurity 13, 4-14-00-01753 (Beilstein Handbook Reference), BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-(2-(DIMETHYLAMINO)ETHYL)-2-PHENYL-, 4-(Dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenylbutyronitrile
| Molecular Formula | C16H25N3 |
|---|---|
| Molecular Weight | 259.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.20483 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 2809-47-4 |
|---|---|
| SMILES | CN(C)CCC(CCN(C)C)(C#N)C1=CC=CC=C1 |
| InChIKey | LIESQWIGGCWDMF-UHFFFAOYSA-N |
Product Overview
Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- (CAS 2809-47-4), with molecular formula C16H25N3 and molecular weight 259.20 g/mol. IUPAC: 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile.
Chemical Property Profile of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-
Property Insights of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-. With a topological polar surface area (TPSA) of 30.3 Ų, Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-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, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-?
The CAS number of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- is 2809-47-4.
What is the molecular formula of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-?
The molecular formula of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- is C16H25N3.
What is the molecular weight of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-?
The molecular weight of Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- is 259.20 g/mol.
Where can I buy Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl-?
You can request a quote for Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-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-(2-(dimethylamino)ethyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyronitrile, 4-(dimethylamino)-2-(2-(dimethylamino)ethyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.