1-(1-Isocyanatoethyl)naphthalene
TL;DR: 1-(1-Isocyanatoethyl)naphthalene (CAS 42340-98-7) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-isocyanatoethyl)naphthalene
Also Known As: 1-(1-Naphthyl)ethyl isocyanate, 1-(1-Isocyanatoethyl)naphthalene, (S)-(+)-1-(1-Naphthyl)ethyl isocyanate, 1-(1-Naphthyl)ethylisocyanate, 1-(naphth-1-yl)ethylisocyanate
| Molecular Formula | C13H11NO |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.08406 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 42340-98-7 |
|---|---|
| SMILES | CC(C1=CC=CC2=CC=CC=C21)N=C=O |
| InChIKey | GONOHGQPZFXJOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Isocyanatoethyl)naphthalene (CAS 42340-98-7), with molecular formula C13H11NO and molecular weight 197.08 g/mol. IUPAC: 1-(1-isocyanatoethyl)naphthalene.
Chemical Property Profile of 1-(1-Isocyanatoethyl)naphthalene
Property Insights of 1-(1-Isocyanatoethyl)naphthalene
The XLogP value of 4.5 indicates that 1-(1-Isocyanatoethyl)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 1-(1-Isocyanatoethyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanatoethyl)naphthalene 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 1-(1-Isocyanatoethyl)naphthalene?
The CAS number of 1-(1-Isocyanatoethyl)naphthalene is 42340-98-7.
What is the molecular formula of 1-(1-Isocyanatoethyl)naphthalene?
The molecular formula of 1-(1-Isocyanatoethyl)naphthalene is C13H11NO.
What is the molecular weight of 1-(1-Isocyanatoethyl)naphthalene?
The molecular weight of 1-(1-Isocyanatoethyl)naphthalene is 197.08 g/mol.
Where can I buy 1-(1-Isocyanatoethyl)naphthalene?
You can request a quote for 1-(1-Isocyanatoethyl)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Isocyanatoethyl)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Isocyanatoethyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.