3-Phenylethynyl-benzaldehyde
TL;DR: 3-Phenylethynyl-benzaldehyde (CAS 115021-40-4) is a chemical compound with molecular formula C15H10O and molecular weight 206.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenylethynyl)benzaldehyde
Also Known As: 3-Phenylethynyl-benzaldehyde, 3-(Phenylethynyl)benzaldehyde, 3-(2-phenylethynyl)benzaldehyde, 3-phenylethynylbenzaldehyde, Benzaldehyde, 3-(2-phenylethynyl)-
Technical Specifications
| Molecular Formula | C15H10O |
| Molecular Weight | 206.07317 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.07317 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC(=C2)C=O |
| InChIKey | RRMQKWJANJYKFC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenylethynyl-benzaldehyde
Property Insights of 3-Phenylethynyl-benzaldehyde
The XLogP value of 3.4 indicates that 3-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, 3-Phenylethynyl-benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
What is the CAS number of 3-Phenylethynyl-benzaldehyde?
The CAS number of 3-Phenylethynyl-benzaldehyde is 115021-40-4.
What is the molecular formula of 3-Phenylethynyl-benzaldehyde?
The molecular formula of 3-Phenylethynyl-benzaldehyde is C15H10O.
What is the molecular weight of 3-Phenylethynyl-benzaldehyde?
The molecular weight of 3-Phenylethynyl-benzaldehyde is 206.07317 g/mol.
Where can I buy 3-Phenylethynyl-benzaldehyde?
You can request a quote for 3-Phenylethynyl-benzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylethynyl-benzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Phenylethynyl-benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.