Pyrene-1-carbonitrile
TL;DR: Pyrene-1-carbonitrile (CAS 4107-64-6) is a chemical compound with molecular formula C17H9N and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1-carbonitrile
Also Known As: 1-Pyrenecarbonitrile, Pyrene-1-carbonitrile, 1-Cyanopyrene, 3-Cyanpyren, J1.580.482C
| Molecular Formula | C17H9N |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 4.45568 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0735 |
| Heavy Atoms | 18 |
| Complexity | 912.8682 |
Chemical Identifiers
| CAS Number | 4107-64-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#N |
Product Overview
Pyrene-1-carbonitrile (CAS 4107-64-6), with molecular formula C17H9N and molecular weight 227.07 g/mol. IUPAC: pyrene-1-carbonitrile.
Chemical Property Profile of Pyrene-1-carbonitrile
Property Insights of Pyrene-1-carbonitrile
The XLogP value of 4.45568 indicates that Pyrene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Pyrene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrene-1-carbonitrile 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 Pyrene-1-carbonitrile?
The CAS number of Pyrene-1-carbonitrile is 4107-64-6.
What is the molecular formula of Pyrene-1-carbonitrile?
The molecular formula of Pyrene-1-carbonitrile is C17H9N.
What is the molecular weight of Pyrene-1-carbonitrile?
The molecular weight of Pyrene-1-carbonitrile is 227.07 g/mol.
Where can I buy Pyrene-1-carbonitrile?
You can request a quote for Pyrene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Pyrene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.