2-Naphthaleneacetonitrile, 1-nitro-
TL;DR: 2-Naphthaleneacetonitrile, 1-nitro- (CAS 89278-00-2) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-nitronaphthalen-2-yl)acetonitrile
Also Known As: 2-(1-nitronaphthalen-2-yl)acetonitrile, 2-Naphthaleneacetonitrile, 1-nitro-, 2-(1-nitro-2-naphthyl)acetonitrile, (1-Nitro-2-naphthyl)acetonitrile, 1-nitro-2-cyanomethyl-naphthalene
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.81408 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 599.4805 |
Chemical Identifiers
| CAS Number | 89278-00-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])CC#N |
Product Overview
2-Naphthaleneacetonitrile, 1-nitro- (CAS 89278-00-2), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 2-(1-nitronaphthalen-2-yl)acetonitrile.
Chemical Property Profile of 2-Naphthaleneacetonitrile, 1-nitro-
Property Insights of 2-Naphthaleneacetonitrile, 1-nitro-
The XLogP value of 2.81408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthaleneacetonitrile, 1-nitro-. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthaleneacetonitrile, 1-nitro-. Following Lipinski's Rule of Five, 2-Naphthaleneacetonitrile, 1-nitro- 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 2-Naphthaleneacetonitrile, 1-nitro-?
The CAS number of 2-Naphthaleneacetonitrile, 1-nitro- is 89278-00-2.
What is the molecular formula of 2-Naphthaleneacetonitrile, 1-nitro-?
The molecular formula of 2-Naphthaleneacetonitrile, 1-nitro- is C12H8N2O2.
What is the molecular weight of 2-Naphthaleneacetonitrile, 1-nitro-?
The molecular weight of 2-Naphthaleneacetonitrile, 1-nitro- is 212.06 g/mol.
Where can I buy 2-Naphthaleneacetonitrile, 1-nitro-?
You can request a quote for 2-Naphthaleneacetonitrile, 1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthaleneacetonitrile, 1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthaleneacetonitrile, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.