Cyanoethyne
TL;DR: Cyanoethyne (CAS 12543-75-8) is a chemical compound with molecular formula C3N and molecular weight 50.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Cyanoethynyl radical, Cyanoethyne, prop-2-ynenitrile, Cyanoethynylradical, Carbon nitride (C3N)
| Molecular Formula | C3N |
|---|---|
| Molecular Weight | 50.00 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 50.003075 |
| Heavy Atoms | 4 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 12543-75-8 |
|---|---|
| SMILES | [C]#CC#N |
| InChIKey | URBHYAWCGWIELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanoethyne (CAS 12543-75-8), with molecular formula C3N and molecular weight 50.00 g/mol.
Chemical Property Profile of Cyanoethyne
Property Insights of Cyanoethyne
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanoethyne. With a topological polar surface area (TPSA) of 23.8 Ų, Cyanoethyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanoethyne 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 Cyanoethyne?
The CAS number of Cyanoethyne is 12543-75-8.
What is the molecular formula of Cyanoethyne?
The molecular formula of Cyanoethyne is C3N.
What is the molecular weight of Cyanoethyne?
The molecular weight of Cyanoethyne is 50.00 g/mol.
Where can I buy Cyanoethyne?
You can request a quote for Cyanoethyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanoethyne?
Yes, KEHONG BIO provides custom synthesis services for Cyanoethyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.