2-(1-Isocyanoethyl)naphthalene
TL;DR: 2-(1-Isocyanoethyl)naphthalene (CAS 1050444-46-6) is a chemical compound with molecular formula C13H11N and molecular weight 181.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)naphthalene
Also Known As: 2-(1-isocyanoethyl)naphthalene
Technical Specifications
| Molecular Formula | C13H11N |
| Molecular Weight | 181.08914 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.08914 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | CC(C1=CC2=CC=CC=C2C=C1)[N+]#[C-] |
| InChIKey | IGSHRGFLUYZAKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)naphthalene
Property Insights of 2-(1-Isocyanoethyl)naphthalene
The XLogP value of 3.6 indicates that 2-(1-Isocyanoethyl)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 2-(1-Isocyanoethyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)naphthalene 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
What is the CAS number of 2-(1-Isocyanoethyl)naphthalene?
The CAS number of 2-(1-Isocyanoethyl)naphthalene is 1050444-46-6.
What is the molecular formula of 2-(1-Isocyanoethyl)naphthalene?
The molecular formula of 2-(1-Isocyanoethyl)naphthalene is C13H11N.
What is the molecular weight of 2-(1-Isocyanoethyl)naphthalene?
The molecular weight of 2-(1-Isocyanoethyl)naphthalene is 181.08914 g/mol.
Where can I buy 2-(1-Isocyanoethyl)naphthalene?
You can request a quote for 2-(1-Isocyanoethyl)naphthalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)naphthalene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.