2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-
TL;DR: 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- (CAS 53235-77-1) is a chemical compound with molecular formula C15H21O5P and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphoryl-3-phenylprop-2-enoate
Also Known As: ethyl 2-diethoxyphosphoryl-3-phenylprop-2-enoate, ethyl 2-(diethoxyphosphoryl)-3-phenylprop-2-enoate, 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-, (E)-3-phenyl-2-(diethoxyphosphoryl)acrylic acid ethyl ester
| Molecular Formula | C15H21O5P |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 312.11267 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 53235-77-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)P(=O)(OCC)OCC |
| InChIKey | AFGMDHDZHUKXMX-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- (CAS 53235-77-1), with molecular formula C15H21O5P and molecular weight 312.11 g/mol. IUPAC: ethyl 2-diethoxyphosphoryl-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-
Property Insights of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- 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 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-?
The CAS number of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- is 53235-77-1.
What is the molecular formula of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-?
The molecular formula of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- is C15H21O5P.
What is the molecular weight of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-?
The molecular weight of 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- is 312.11 g/mol.
Where can I buy 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-?
You can request a quote for 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-(diethoxyphosphinyl)-3-phenyl-, ethyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.