alpha-Naphthyl isocyanate
TL;DR: alpha-Naphthyl isocyanate (CAS 86-84-0) 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.
1-isocyanatonaphthalene
Also Known As: 1-Naphthyl isocyanate, 1-Isocyanatonaphthalene, 1-Naphthylisocyanate, Isocyanatonaphthalene, Naphthalene, 1-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 | 86-84-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=C=O |
| InChIKey | BDQNKCYCTYYMAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Naphthyl isocyanate (CAS 86-84-0), with molecular formula C11H7NO and molecular weight 169.05 g/mol. IUPAC: 1-isocyanatonaphthalene.
Chemical Property Profile of alpha-Naphthyl isocyanate
Property Insights of alpha-Naphthyl isocyanate
The XLogP value of 3.7 indicates that alpha-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, alpha-Naphthyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-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 alpha-Naphthyl isocyanate?
The CAS number of alpha-Naphthyl isocyanate is 86-84-0.
What is the molecular formula of alpha-Naphthyl isocyanate?
The molecular formula of alpha-Naphthyl isocyanate is C11H7NO.
What is the molecular weight of alpha-Naphthyl isocyanate?
The molecular weight of alpha-Naphthyl isocyanate is 169.05 g/mol.
Where can I buy alpha-Naphthyl isocyanate?
You can request a quote for alpha-Naphthyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Naphthyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Naphthyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.