1-Cyano-4-isocyanonaphthalene
TL;DR: 1-Cyano-4-isocyanonaphthalene (CAS 730964-88-2) is a chemical compound with molecular formula C12H6N2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyanonaphthalene-1-carbonitrile
Also Known As: 1-Cyano-4-isocyanonaphthalene, 4-isocyanonaphthalene-1-carbonitrile
| Molecular Formula | C12H6N2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 3.26227 |
| Topological Polar Surface Area | 28.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.0531 |
| Heavy Atoms | 14 |
| Complexity | 518.3719 |
Chemical Identifiers
| CAS Number | 730964-88-2 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=C(C2=CC=CC=C21)C#N |
Product Overview
1-Cyano-4-isocyanonaphthalene (CAS 730964-88-2), with molecular formula C12H6N2 and molecular weight 178.05 g/mol. IUPAC: 4-isocyanonaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Cyano-4-isocyanonaphthalene
Property Insights of 1-Cyano-4-isocyanonaphthalene
The XLogP value of 3.26227 indicates that 1-Cyano-4-isocyanonaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.15 Ų, 1-Cyano-4-isocyanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-4-isocyanonaphthalene has 0 hydrogen bond donor(s) and 1 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-Cyano-4-isocyanonaphthalene?
The CAS number of 1-Cyano-4-isocyanonaphthalene is 730964-88-2.
What is the molecular formula of 1-Cyano-4-isocyanonaphthalene?
The molecular formula of 1-Cyano-4-isocyanonaphthalene is C12H6N2.
What is the molecular weight of 1-Cyano-4-isocyanonaphthalene?
The molecular weight of 1-Cyano-4-isocyanonaphthalene is 178.05 g/mol.
Where can I buy 1-Cyano-4-isocyanonaphthalene?
You can request a quote for 1-Cyano-4-isocyanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-4-isocyanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-4-isocyanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.