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2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile
TL;DR: 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile (CAS 52962-65-9) is a chemical compound with molecular formula C20H14N2 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile
Also Known As: 2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile, [(Naphthalen-1-yl)(phenyl)methyl]propanedinitrile, PROPANEDINITRILE,2-(1-NAPHTHALENYLPHENYLMETHYL)-
| Molecular Formula | C20H14N2 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.1157 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 52962-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)C(C#N)C#N |
| InChIKey | GIHZAEYFKLGPDY-UHFFFAOYSA-N |
Product Overview
2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile (CAS 52962-65-9), with molecular formula C20H14N2 and molecular weight 282.12 g/mol. IUPAC: 2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile
Property Insights of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile
The XLogP value of 4.6 indicates that 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile 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 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile?
The CAS number of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile is 52962-65-9.
What is the molecular formula of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile?
The molecular formula of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile is C20H14N2.
What is the molecular weight of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile?
The molecular weight of 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile is 282.12 g/mol.
Where can I buy 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile?
You can request a quote for 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.