Triethyl 4-phosphonocrotonate, mixture of isomers
TL;DR: Triethyl 4-phosphonocrotonate, mixture of isomers (CAS 43047-95-6) is a chemical compound with molecular formula C10H19O5P and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-diethoxyphosphorylbut-2-enoate
Also Known As: Triethyl 4-phosphonocrotonate, ethyl 4-(diethoxyphosphoryl)but-2-enoate, (E)-Ethyl 4-(diethoxyphosphoryl)but-2-enoate, Stannane,(butylthio)triethyl, ethyl (E)-4-diethoxyphosphorylbut-2-enoate
| Molecular Formula | C10H19O5P |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.3718 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.09702 |
| Heavy Atoms | 16 |
| Complexity | 264.38297 |
Chemical Identifiers
| CAS Number | 43047-95-6 |
|---|---|
| SMILES | CCOC(=O)/C=C/CP(=O)(OCC)OCC |
Product Overview
Triethyl 4-phosphonocrotonate, mixture of isomers (CAS 43047-95-6), with molecular formula C10H19O5P and molecular weight 250.10 g/mol. IUPAC: ethyl (E)-4-diethoxyphosphorylbut-2-enoate.
Chemical Property Profile of Triethyl 4-phosphonocrotonate, mixture of isomers
Property Insights of Triethyl 4-phosphonocrotonate, mixture of isomers
The XLogP value of 2.3718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 4-phosphonocrotonate, mixture of isomers. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 4-phosphonocrotonate, mixture of isomers. Following Lipinski's Rule of Five, Triethyl 4-phosphonocrotonate, mixture of isomers 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 Triethyl 4-phosphonocrotonate, mixture of isomers?
The CAS number of Triethyl 4-phosphonocrotonate, mixture of isomers is 43047-95-6.
What is the molecular formula of Triethyl 4-phosphonocrotonate, mixture of isomers?
The molecular formula of Triethyl 4-phosphonocrotonate, mixture of isomers is C10H19O5P.
What is the molecular weight of Triethyl 4-phosphonocrotonate, mixture of isomers?
The molecular weight of Triethyl 4-phosphonocrotonate, mixture of isomers is 250.10 g/mol.
Where can I buy Triethyl 4-phosphonocrotonate, mixture of isomers?
You can request a quote for Triethyl 4-phosphonocrotonate, mixture of isomers directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 4-phosphonocrotonate, mixture of isomers?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 4-phosphonocrotonate, mixture of isomers and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.