1-Naphthalenecarbonitrile
TL;DR: 1-Naphthalenecarbonitrile (CAS 86-53-3) is a chemical compound with molecular formula C11H7N and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalene-1-carbonitrile
Also Known As: 1-Naphthonitrile, 1-Cyanonaphthalene, Naphthalene-1-carbonitrile, 1-NAPHTHALENECARBONITRILE, 1-Naphthylnitrile
| Molecular Formula | C11H7N |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.05785 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 86-53-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C#N |
| InChIKey | YJMNOKOLADGBKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthalenecarbonitrile (CAS 86-53-3), with molecular formula C11H7N and molecular weight 153.06 g/mol. IUPAC: naphthalene-1-carbonitrile.
Chemical Property Profile of 1-Naphthalenecarbonitrile
Property Insights of 1-Naphthalenecarbonitrile
The XLogP value of 3.3 indicates that 1-Naphthalenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthalenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbonitrile 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-Naphthalenecarbonitrile?
The CAS number of 1-Naphthalenecarbonitrile is 86-53-3.
What is the molecular formula of 1-Naphthalenecarbonitrile?
The molecular formula of 1-Naphthalenecarbonitrile is C11H7N.
What is the molecular weight of 1-Naphthalenecarbonitrile?
The molecular weight of 1-Naphthalenecarbonitrile is 153.06 g/mol.
Where can I buy 1-Naphthalenecarbonitrile?
You can request a quote for 1-Naphthalenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.