2-Propenoic acid, 3-phenyl-, calcium salt (2:1)
TL;DR: 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) (CAS 588-62-5) is a chemical compound with molecular formula C18H14CaO4 and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-phenylprop-2-enoate)
Also Known As: Calcium cinnamate, 2-Propenoic acid,3-phenyl-, calcium salt (2:1), 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)
| Molecular Formula | C18H14CaO4 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.0518 |
| Heavy Atoms | 23 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 588-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)[O-].C1=CC=C(C=C1)C=CC(=O)[O-].[Ca+2] |
| InChIKey | FPCWKNLZGKFYTL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-phenyl-, calcium salt (2:1) (CAS 588-62-5), with molecular formula C18H14CaO4 and molecular weight 334.05 g/mol. IUPAC: calcium bis(3-phenylprop-2-enoate).
Chemical Property Profile of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)
Property Insights of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-phenyl-, calcium salt (2:1). The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-phenyl-, calcium salt (2:1). Following Lipinski's Rule of Five, 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) 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 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)?
The CAS number of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) is 588-62-5.
What is the molecular formula of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)?
The molecular formula of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) is C18H14CaO4.
What is the molecular weight of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)?
The molecular weight of 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) is 334.05 g/mol.
Where can I buy 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)?
You can request a quote for 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) 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-phenyl-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-phenyl-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.