Acrolein dimer
TL;DR: Acrolein dimer (CAS 100-73-2) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-pyran-2-carbaldehyde
Also Known As: Acrolein dimer, 3,4-Dihydro-2H-pyran-2-carbaldehyde, Pyran aldehyde, 2-Propenal dimer, 2-Formyl-3,4-dihydro-2H-pyran
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
| Flash Point | 47.8 °C (NFPA, 2010) |
Chemical Identifiers
| CAS Number | 100-73-2 |
|---|---|
| SMILES | C1CC(OC=C1)C=O |
| InChIKey | NPWYTMFWRRIFLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acrolein dimer (CAS 100-73-2), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 3,4-dihydro-2H-pyran-2-carbaldehyde.
Chemical Property Profile of Acrolein dimer
Property Insights of Acrolein dimer
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrolein dimer. With a topological polar surface area (TPSA) of 26.3 Ų, Acrolein dimer exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrolein dimer has 0 hydrogen bond donor(s) and 2 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 Acrolein dimer?
The CAS number of Acrolein dimer is 100-73-2.
What is the molecular formula of Acrolein dimer?
The molecular formula of Acrolein dimer is C6H8O2.
What is the molecular weight of Acrolein dimer?
The molecular weight of Acrolein dimer is 112.05 g/mol.
Where can I buy Acrolein dimer?
You can request a quote for Acrolein dimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrolein dimer?
Yes, KEHONG BIO provides custom synthesis services for Acrolein dimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.