Diethyl p-phenylenediacrylate
TL;DR: Diethyl p-phenylenediacrylate (CAS 17407-97-5) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
Also Known As: 1,4-Phenylenediacrylic Acid Diethyl Ester, diethyl p-phenylenediacrylate, Diethyl p-Phenylen-, Diethyl 1,4-Phenylenediacrylate, Diethyl p-benzenediacrylate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.8392 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 450.71307 |
Chemical Identifiers
| CAS Number | 17407-97-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)OCC |
Product Overview
Diethyl p-phenylenediacrylate (CAS 17407-97-5), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate.
Chemical Property Profile of Diethyl p-phenylenediacrylate
Property Insights of Diethyl p-phenylenediacrylate
The XLogP value of 2.8392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl p-phenylenediacrylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl p-phenylenediacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl p-phenylenediacrylate has 0 hydrogen bond donor(s) and 4 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 Diethyl p-phenylenediacrylate?
The CAS number of Diethyl p-phenylenediacrylate is 17407-97-5.
What is the molecular formula of Diethyl p-phenylenediacrylate?
The molecular formula of Diethyl p-phenylenediacrylate is C16H18O4.
What is the molecular weight of Diethyl p-phenylenediacrylate?
The molecular weight of Diethyl p-phenylenediacrylate is 274.12 g/mol.
Where can I buy Diethyl p-phenylenediacrylate?
You can request a quote for Diethyl p-phenylenediacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl p-phenylenediacrylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl p-phenylenediacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.