1-Cyanoacenaphthylene
TL;DR: 1-Cyanoacenaphthylene (CAS 39653-72-0) is a chemical compound with molecular formula C13H7N and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acenaphthylene-1-carbonitrile
Also Known As: 1-Cyanoacenaphthylene, acenaphthylene-1-carbonitrile, 1-Acenaphthylenecarbonitrile, BRN 2328055
| Molecular Formula | C13H7N |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05785 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 39653-72-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=C(C3=CC=C2)C#N |
| InChIKey | SGMUADOXMCAHTK-UHFFFAOYSA-N |
Product Overview
1-Cyanoacenaphthylene (CAS 39653-72-0), with molecular formula C13H7N and molecular weight 177.06 g/mol. IUPAC: acenaphthylene-1-carbonitrile.
Chemical Property Profile of 1-Cyanoacenaphthylene
Property Insights of 1-Cyanoacenaphthylene
The XLogP value of 3.1 indicates that 1-Cyanoacenaphthylene 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-Cyanoacenaphthylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanoacenaphthylene 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-Cyanoacenaphthylene?
The CAS number of 1-Cyanoacenaphthylene is 39653-72-0.
What is the molecular formula of 1-Cyanoacenaphthylene?
The molecular formula of 1-Cyanoacenaphthylene is C13H7N.
What is the molecular weight of 1-Cyanoacenaphthylene?
The molecular weight of 1-Cyanoacenaphthylene is 177.06 g/mol.
Where can I buy 1-Cyanoacenaphthylene?
You can request a quote for 1-Cyanoacenaphthylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoacenaphthylene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoacenaphthylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.