4-(Phenylethynyl)benzaldehyde
TL;DR: 4-(Phenylethynyl)benzaldehyde (CAS 387358-51-2) is a chemical compound with molecular formula C15H10O and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethynyl)benzaldehyde
Also Known As: 4-(Phenylethynyl)benzaldehyde, 4-(2-Phenylethynyl)benzaldehyde, 4-phenylethynylbenzaldehyde, 4-Phenylethynyl-benzaldehyde, 4-(2-Phenyleth-1-ynyl)benzaldehyde
| Molecular Formula | C15H10O |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.07317 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 387358-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=O |
| InChIKey | SYCFYQFCFHKYPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylethynyl)benzaldehyde (CAS 387358-51-2), with molecular formula C15H10O and molecular weight 206.07 g/mol. IUPAC: 4-(2-phenylethynyl)benzaldehyde.
Chemical Property Profile of 4-(Phenylethynyl)benzaldehyde
Property Insights of 4-(Phenylethynyl)benzaldehyde
The XLogP value of 4.2 indicates that 4-(Phenylethynyl)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-(Phenylethynyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylethynyl)benzaldehyde 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 4-(Phenylethynyl)benzaldehyde?
The CAS number of 4-(Phenylethynyl)benzaldehyde is 387358-51-2.
What is the molecular formula of 4-(Phenylethynyl)benzaldehyde?
The molecular formula of 4-(Phenylethynyl)benzaldehyde is C15H10O.
What is the molecular weight of 4-(Phenylethynyl)benzaldehyde?
The molecular weight of 4-(Phenylethynyl)benzaldehyde is 206.07 g/mol.
Where can I buy 4-(Phenylethynyl)benzaldehyde?
You can request a quote for 4-(Phenylethynyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylethynyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylethynyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.