Phenylpropynal
TL;DR: Phenylpropynal (CAS 2579-22-8) is a chemical compound with molecular formula C9H6O and molecular weight 130.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-ynal
Also Known As: 3-Phenylpropiolaldehyde, Phenylpropiolaldehyde, Phenylpropynal, Phenylpropargyl aldehyde, 3-phenylprop-2-ynal
| Molecular Formula | C9H6O |
|---|---|
| Molecular Weight | 130.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.04187 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 2579-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC=O |
| InChIKey | IDASOVSVRKONFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylpropynal (CAS 2579-22-8), with molecular formula C9H6O and molecular weight 130.04 g/mol. IUPAC: 3-phenylprop-2-ynal.
Chemical Property Profile of Phenylpropynal
Property Insights of Phenylpropynal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylpropynal. With a topological polar surface area (TPSA) of 17.1 Ų, Phenylpropynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylpropynal 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 Phenylpropynal?
The CAS number of Phenylpropynal is 2579-22-8.
What is the molecular formula of Phenylpropynal?
The molecular formula of Phenylpropynal is C9H6O.
What is the molecular weight of Phenylpropynal?
The molecular weight of Phenylpropynal is 130.04 g/mol.
Where can I buy Phenylpropynal?
You can request a quote for Phenylpropynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylpropynal?
Yes, KEHONG BIO provides custom synthesis services for Phenylpropynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.