4-(Diethylphosphono)-2-butenal
TL;DR: 4-(Diethylphosphono)-2-butenal (CAS 110905-37-8) is a chemical compound with molecular formula C8H15O4P and molecular weight 206.0708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-diethoxyphosphorylbut-2-enal
Also Known As: 4-Depb, 4-(Diethylphosphono)-2-butenal, (E)-4-diethoxyphosphorylbut-2-enal, 4-(diethoxyphosphoryl)-2e-butenal, diethyl [(2E)-4-oxobut-2-en-1-yl]phosphonate
Technical Specifications
| Molecular Formula | C8H15O4P |
| Molecular Weight | 206.0708 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.0708 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CCOP(=O)(C/C=C/C=O)OCC |
| InChIKey | IIVXNWZBMVVKJU-AATRIKPKSA-N |
Chemical Property Profile of 4-(Diethylphosphono)-2-butenal
Property Insights of 4-(Diethylphosphono)-2-butenal
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylphosphono)-2-butenal. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(Diethylphosphono)-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylphosphono)-2-butenal has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Diethylphosphono)-2-butenal?
The CAS number of 4-(Diethylphosphono)-2-butenal is 110905-37-8.
What is the molecular formula of 4-(Diethylphosphono)-2-butenal?
The molecular formula of 4-(Diethylphosphono)-2-butenal is C8H15O4P.
What is the molecular weight of 4-(Diethylphosphono)-2-butenal?
The molecular weight of 4-(Diethylphosphono)-2-butenal is 206.0708 g/mol.
Where can I buy 4-(Diethylphosphono)-2-butenal?
You can request a quote for 4-(Diethylphosphono)-2-butenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Diethylphosphono)-2-butenal?
Yes, CoreyChem provides custom synthesis services for 4-(Diethylphosphono)-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.