2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid
TL;DR: 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid (CAS 4472-92-8) 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.
2-cinnamylidenepropanedioic acid
Also Known As: Cinnamylidenemalonic acid, Cinnamalmalonsaure, Cinnamalmalonic acid, 2-cinnamylidenepropanedioic acid, CINNAMYLIDENE MALONIC ACID
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 3.4 |
| 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 | 306.0 |
Chemical Identifiers
| CAS Number | 4472-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=C(C(=O)O)C(=O)O |
| InChIKey | BLPUXJIIRIWMSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid (CAS 4472-92-8), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 2-cinnamylidenepropanedioic acid.
Chemical Property Profile of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid
Property Insights of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid
The XLogP value of 3.4 indicates that 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid. Following Lipinski's Rule of Five, 2-(3-Phenyl-2-propen-1-ylidene)propanedioic 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 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid?
The CAS number of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid is 4472-92-8.
What is the molecular formula of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid?
The molecular formula of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid is C12H10O4.
What is the molecular weight of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid?
The molecular weight of 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid is 218.06 g/mol.
Where can I buy 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid?
You can request a quote for 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.