Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-
TL;DR: Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- (CAS 2809-46-3) is a chemical compound with molecular formula C16H24N2 and molecular weight 244.19 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-phenylpentanenitrile
Also Known As: 2-(2-(Dimethylamino)ethyl)-3-methyl-2-phenylvaleronitrile, 2-[2- ethyl]-3-methyl-2-phenylvaleronitrile, Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-, 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile, 1-dimethylamino-3-cyano-3-phenyl-4-methyl-hexane
| Molecular Formula | C16H24N2 |
|---|---|
| Molecular Weight | 244.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.19395 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 2809-46-3 |
|---|---|
| SMILES | CCC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1 |
| InChIKey | MVCMGQACMGHRSM-UHFFFAOYSA-N |
Product Overview
Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- (CAS 2809-46-3), with molecular formula C16H24N2 and molecular weight 244.19 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylpentanenitrile.
Chemical Property Profile of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-
Property Insights of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-
The XLogP value of 3.7 indicates that Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-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, Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-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 Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-?
The CAS number of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- is 2809-46-3.
What is the molecular formula of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-?
The molecular formula of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- is C16H24N2.
What is the molecular weight of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-?
The molecular weight of Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- is 244.19 g/mol.
Where can I buy Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-?
You can request a quote for Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Valeronitrile, 2-(2-(dimethylamino)ethyl)-3-methyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.