2-Ethynylbenzaldehyde
TL;DR: 2-Ethynylbenzaldehyde (CAS 38846-64-9) 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.
2-ethynylbenzaldehyde
Also Known As: 2-ethynylbenzaldehyde, null, benzaldehyde, 2-ethynyl-, Ethynylbenzaldehyde, ethynyl benzaldehyde
| 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 | 2 |
| Exact Mass | 130.04187 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 38846-64-9 |
|---|---|
| SMILES | C#CC1=CC=CC=C1C=O |
| InChIKey | ZEDSAJWVTKUHHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethynylbenzaldehyde (CAS 38846-64-9), with molecular formula C9H6O and molecular weight 130.04 g/mol. IUPAC: 2-ethynylbenzaldehyde.
Chemical Property Profile of 2-Ethynylbenzaldehyde
Property Insights of 2-Ethynylbenzaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethynylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynylbenzaldehyde 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 2-Ethynylbenzaldehyde?
The CAS number of 2-Ethynylbenzaldehyde is 38846-64-9.
What is the molecular formula of 2-Ethynylbenzaldehyde?
The molecular formula of 2-Ethynylbenzaldehyde is C9H6O.
What is the molecular weight of 2-Ethynylbenzaldehyde?
The molecular weight of 2-Ethynylbenzaldehyde is 130.04 g/mol.
Where can I buy 2-Ethynylbenzaldehyde?
You can request a quote for 2-Ethynylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.