2-Naphthyl isocyanate
TL;DR: 2-Naphthyl isocyanate (CAS 2243-54-1) is a chemical compound with molecular formula C11H7NO and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatonaphthalene
Also Known As: 2-Naphthyl isocyanate, 2-Isocyanatonaphthalene, 2-Naphthylisocyanate, beta-Naphthylisocyanate, NAPHTHALENE, 2-ISOCYANATO-
| Molecular Formula | C11H7NO |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.05276 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 2243-54-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)N=C=O |
| InChIKey | XIXJQNFTNSQTBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthyl isocyanate (CAS 2243-54-1), with molecular formula C11H7NO and molecular weight 169.05 g/mol. IUPAC: 2-isocyanatonaphthalene.
Chemical Property Profile of 2-Naphthyl isocyanate
Property Insights of 2-Naphthyl isocyanate
The XLogP value of 3.7 indicates that 2-Naphthyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Naphthyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthyl isocyanate 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-Naphthyl isocyanate?
The CAS number of 2-Naphthyl isocyanate is 2243-54-1.
What is the molecular formula of 2-Naphthyl isocyanate?
The molecular formula of 2-Naphthyl isocyanate is C11H7NO.
What is the molecular weight of 2-Naphthyl isocyanate?
The molecular weight of 2-Naphthyl isocyanate is 169.05 g/mol.
Where can I buy 2-Naphthyl isocyanate?
You can request a quote for 2-Naphthyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.