1,4-Phenylenediacrylic acid
TL;DR: 1,4-Phenylenediacrylic acid (CAS 313648-56-5) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
Also Known As: 1,4-Benzenediacrylic acid, 1,4-Phenylenediacrylic acid, p-Benzenediacrylic acid, p-Phenylenediacrylic acid, 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 313648-56-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O)/C=C/C(=O)O |
| InChIKey | AAFXQFIGKBLKMC-KQQUZDAGSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Phenylenediacrylic acid (CAS 313648-56-5), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid.
Chemical Property Profile of 1,4-Phenylenediacrylic acid
Property Insights of 1,4-Phenylenediacrylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Phenylenediacrylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Phenylenediacrylic acid. Following Lipinski's Rule of Five, 1,4-Phenylenediacrylic acid has 2 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 1,4-Phenylenediacrylic acid?
The CAS number of 1,4-Phenylenediacrylic acid is 313648-56-5.
What is the molecular formula of 1,4-Phenylenediacrylic acid?
The molecular formula of 1,4-Phenylenediacrylic acid is C12H10O4.
What is the molecular weight of 1,4-Phenylenediacrylic acid?
The molecular weight of 1,4-Phenylenediacrylic acid is 218.06 g/mol.
Where can I buy 1,4-Phenylenediacrylic acid?
You can request a quote for 1,4-Phenylenediacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Phenylenediacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Phenylenediacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.