![2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile structure](/static/products/4949/4949-02-4.webp)
2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile
TL;DR: 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile (CAS 4949-02-4) is a chemical compound with molecular formula C14H10N2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
Also Known As: Maybridge3_004532, 2,6-Naphthalenediacetonitrile, 2,2'-(NAPHTHALENE-2,6-DIYL)DIACETONITRILE, 2,6-Naphthalindiessigsaeure-dinitril, 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
| Molecular Formula | C14H10N2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 2.97196 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0844 |
| Heavy Atoms | 16 |
| Complexity | 544.89197 |
Chemical Identifiers
| CAS Number | 4949-02-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)CC#N)C=C1CC#N |
Product Overview
2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile (CAS 4949-02-4), with molecular formula C14H10N2 and molecular weight 206.08 g/mol. IUPAC: 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile.
Chemical Property Profile of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile
Property Insights of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile
The XLogP value of 2.97196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile 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-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile?
The CAS number of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile is 4949-02-4.
What is the molecular formula of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile?
The molecular formula of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile is C14H10N2.
What is the molecular weight of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile?
The molecular weight of 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile is 206.08 g/mol.
Where can I buy 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile?
You can request a quote for 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(Cyanomethyl)naphthalen-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.