4-Diethylphosphonocrotonic acid
TL;DR: 4-Diethylphosphonocrotonic acid (CAS 79563-56-7) is a chemical compound with molecular formula C8H15O5P and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-diethoxyphosphorylbut-2-enoic acid
Also Known As: 4-diethylphosphonocrotonic acid, 4-(Diethoxyphosphinyl)crotonic acid, 4-diethoxyphosphorylbut-2-enoic Acid, (E)-4-(Diethoxyphosphoryl)but-2-enoic acid, (E)-4-diethoxyphosphorylbut-2-enoic acid
| Molecular Formula | C8H15O5P |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 1.8933 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.0657 |
| Heavy Atoms | 14 |
| Complexity | 238.1162 |
Chemical Identifiers
| CAS Number | 79563-56-7 |
|---|---|
| SMILES | CCOP(=O)(C/C=C/C(=O)O)OCC |
Product Overview
4-Diethylphosphonocrotonic acid (CAS 79563-56-7), with molecular formula C8H15O5P and molecular weight 222.07 g/mol. IUPAC: (E)-4-diethoxyphosphorylbut-2-enoic acid.
Chemical Property Profile of 4-Diethylphosphonocrotonic acid
Property Insights of 4-Diethylphosphonocrotonic acid
The XLogP value of 1.8933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Diethylphosphonocrotonic acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Diethylphosphonocrotonic acid. Following Lipinski's Rule of Five, 4-Diethylphosphonocrotonic acid has 1 hydrogen bond donor(s) and 4 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 4-Diethylphosphonocrotonic acid?
The CAS number of 4-Diethylphosphonocrotonic acid is 79563-56-7.
What is the molecular formula of 4-Diethylphosphonocrotonic acid?
The molecular formula of 4-Diethylphosphonocrotonic acid is C8H15O5P.
What is the molecular weight of 4-Diethylphosphonocrotonic acid?
The molecular weight of 4-Diethylphosphonocrotonic acid is 222.07 g/mol.
Where can I buy 4-Diethylphosphonocrotonic acid?
You can request a quote for 4-Diethylphosphonocrotonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Diethylphosphonocrotonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Diethylphosphonocrotonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.