ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate
TL;DR: ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate (CAS 41891-54-7) 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 (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate
Also Known As: jhaAR@HHqYpOCIILddh]LfjjffhBDd, ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate, (Z)-3-Methyl-4-phosphono-crotonic Acid Triethyl Ester, (Z)-Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate, Triethyl (3-methyl-4-phosphono)crotonate (mixture of cis- and trans-isomer)
| 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 | 41891-54-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\CP(=O)(OCC)OCC |
Product Overview
ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate (CAS 41891-54-7), with molecular formula C11H21O5P and molecular weight 264.11 g/mol. IUPAC: ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate.
Chemical Property Profile of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate
Property Insights of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate
The XLogP value of 2.7619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate. Following Lipinski's Rule of Five, ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate 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 (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate?
The CAS number of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate is 41891-54-7.
What is the molecular formula of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate?
The molecular formula of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate is C11H21O5P.
What is the molecular weight of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate?
The molecular weight of ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate is 264.11 g/mol.
Where can I buy ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate?
You can request a quote for ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-4-diethoxyphosphoryl-3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.