Pyrene-1-carbonylcyanide
TL;DR: Pyrene-1-carbonylcyanide (CAS 124679-13-6) is a chemical compound with molecular formula C18H9NO and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1-carbonyl cyanide
Also Known As: Pyrene-1-carbonyl cyanide, Pyrene-1-carbonylcyanide, 1-Cyanocarbonylpyrene, 1-Pyrenylcarbonyl cyanide, 1-Pyreneacetonitrile, a-oxo-
| Molecular Formula | C18H9NO |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.06842 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 124679-13-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)C#N |
| InChIKey | ZTLVIFYLZSQPBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrene-1-carbonylcyanide (CAS 124679-13-6), with molecular formula C18H9NO and molecular weight 255.07 g/mol. IUPAC: pyrene-1-carbonyl cyanide.
Chemical Property Profile of Pyrene-1-carbonylcyanide
Property Insights of Pyrene-1-carbonylcyanide
The XLogP value of 4.6 indicates that Pyrene-1-carbonylcyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, Pyrene-1-carbonylcyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrene-1-carbonylcyanide 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 Pyrene-1-carbonylcyanide?
The CAS number of Pyrene-1-carbonylcyanide is 124679-13-6.
What is the molecular formula of Pyrene-1-carbonylcyanide?
The molecular formula of Pyrene-1-carbonylcyanide is C18H9NO.
What is the molecular weight of Pyrene-1-carbonylcyanide?
The molecular weight of Pyrene-1-carbonylcyanide is 255.07 g/mol.
Where can I buy Pyrene-1-carbonylcyanide?
You can request a quote for Pyrene-1-carbonylcyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene-1-carbonylcyanide?
Yes, KEHONG BIO provides custom synthesis services for Pyrene-1-carbonylcyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.