1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-
TL;DR: 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- (CAS 1240-16-0) is a chemical compound with molecular formula C22H22N2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile
Also Known As: 4-[benzyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile, alpha-(2-(N-Benzyl-N-methylamino)ethyl)-1-naphthaleneacetonitrile, 1-NAPHTHALENEACETONITRILE, alpha-(2-(N-BENZYL-N-METHYLAMINO)ETHYL)-, alpha-[2-[Benzyl(methyl)amino]ethyl]-1-naphthaleneacetonitrile, 4-[benzyl(methyl)amino]-2-(naphthalen-1-yl)butanenitrile
| Molecular Formula | C22H22N2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.17828 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 1240-16-0 |
|---|---|
| SMILES | CN(CCC(C#N)C1=CC=CC2=CC=CC=C21)CC3=CC=CC=C3 |
| InChIKey | BFQMJUKUPCJANE-UHFFFAOYSA-N |
Product Overview
1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- (CAS 1240-16-0), with molecular formula C22H22N2 and molecular weight 314.18 g/mol. IUPAC: 4-[benzyl(methyl)amino]-2-naphthalen-1-ylbutanenitrile.
Chemical Property Profile of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-
Property Insights of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-
The XLogP value of 4.8 indicates that 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- 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 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-?
The CAS number of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- is 1240-16-0.
What is the molecular formula of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-?
The molecular formula of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- is C22H22N2.
What is the molecular weight of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-?
The molecular weight of 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- is 314.18 g/mol.
Where can I buy 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-?
You can request a quote for 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetonitrile, alpha-(2-(N-benzyl-N-methylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.