Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate
TL;DR: Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate (CAS 39760-56-0) is a chemical compound with molecular formula C11H21O5P and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-diethoxyphosphoryl-3-methylbut-2-enoate
Also Known As: Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate, Triethyl 3-Methyl-4-phosphonocrotonate, ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate, Triethyl 4-phosphono-3-methyl-2-butenoate, ethyl 4-diethoxyphosphinyl-3-methyl-2-butenoate
| Molecular Formula | C11H21O5P |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.7619 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.11267 |
| Heavy Atoms | 17 |
| Complexity | 300.98364 |
Chemical Identifiers
| CAS Number | 39760-56-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)CP(=O)(OCC)OCC |
Product Overview
Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate (CAS 39760-56-0), with molecular formula C11H21O5P and molecular weight 264.11 g/mol. IUPAC: ethyl 4-diethoxyphosphoryl-3-methylbut-2-enoate.
Chemical Property Profile of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate
Property Insights of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate
The XLogP value of 2.7619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate. Following Lipinski's Rule of Five, Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate?
The CAS number of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate is 39760-56-0.
What is the molecular formula of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate?
The molecular formula of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate is C11H21O5P.
What is the molecular weight of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate?
The molecular weight of Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate is 264.11 g/mol.
Where can I buy Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate?
You can request a quote for Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.