2-辛炔醛
TL;DR: 2-辛炔醛 (CAS 1846-68-0) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛炔醛
oct-2-ynal
Also Known As: Oct-2-ynal, 2-Octynal, octalin, 2-octynaldehyde, Amylpropiolaldehyd
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 1846-68-0 |
|---|---|
| SMILES | CCCCCC#CC=O |
| InChIKey | DUUGWLGPIZCNLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛炔醛 (CAS 1846-68-0), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: oct-2-ynal.
Chemical Property Profile of 2-辛炔醛
Property Insights of 2-辛炔醛
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-辛炔醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-辛炔醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-辛炔醛 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-辛炔醛?
The CAS number of 2-辛炔醛 is 1846-68-0.
What is the molecular formula of 2-辛炔醛?
The molecular formula of 2-辛炔醛 is C8H12O.
What is the molecular weight of 2-辛炔醛?
The molecular weight of 2-辛炔醛 is 124.09 g/mol.
Where can I buy 2-辛炔醛?
You can request a quote for 2-辛炔醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛炔醛?
Yes, KEHONG BIO provides custom synthesis services for 2-辛炔醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.