2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester
TL;DR: 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester (CAS 3944-25-0) 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.
methyl 3-diethoxyphosphorylprop-2-enoate
Also Known As: methyl 3-(diethylphosphono)acrylate, methyl 3-diethoxyphosphorylprop-2-enoate, Methyl-3-(diethoxyphosphinyl)-acrylat, 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester, METHYL 3-(DIETHOXYPHOSPHORYL)PROP-2-ENOATE
| Molecular Formula | C8H15O5P |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.0657 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 3944-25-0 |
|---|---|
| SMILES | CCOP(=O)(C=CC(=O)OC)OCC |
| InChIKey | XCWJBBKDELCCCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester (CAS 3944-25-0), with molecular formula C8H15O5P and molecular weight 222.07 g/mol. IUPAC: methyl 3-diethoxyphosphorylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester
Property Insights of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester 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, 3-(diethoxyphosphinyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester is 3944-25-0.
What is the molecular formula of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester is C8H15O5P.
What is the molecular weight of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester is 222.07 g/mol.
Where can I buy 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester 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, 3-(diethoxyphosphinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(diethoxyphosphinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.