2-Cyano-5-nitronaphthalene
TL;DR: 2-Cyano-5-nitronaphthalene (CAS 23245-67-2) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitronaphthalene-2-carbonitrile
Also Known As: 2-Cyano-5-nitronaphthalene, 5-nitronaphthalene-2-carbonitrile, 5-Nitro-2-naphthonitrile, 5-Nitro-2-naphthalenecarbonitrile, J1.866.303A
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 23245-67-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)C#N)C(=C1)[N+](=O)[O-] |
| InChIKey | YUUANIXNRRILDA-UHFFFAOYSA-N |
Product Overview
2-Cyano-5-nitronaphthalene (CAS 23245-67-2), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 5-nitronaphthalene-2-carbonitrile.
Chemical Property Profile of 2-Cyano-5-nitronaphthalene
Property Insights of 2-Cyano-5-nitronaphthalene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-5-nitronaphthalene. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-5-nitronaphthalene. Following Lipinski's Rule of Five, 2-Cyano-5-nitronaphthalene 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-Cyano-5-nitronaphthalene?
The CAS number of 2-Cyano-5-nitronaphthalene is 23245-67-2.
What is the molecular formula of 2-Cyano-5-nitronaphthalene?
The molecular formula of 2-Cyano-5-nitronaphthalene is C11H6N2O2.
What is the molecular weight of 2-Cyano-5-nitronaphthalene?
The molecular weight of 2-Cyano-5-nitronaphthalene is 198.04 g/mol.
Where can I buy 2-Cyano-5-nitronaphthalene?
You can request a quote for 2-Cyano-5-nitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-5-nitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-5-nitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.