5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
TL;DR: 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid (CAS 5285-18-7) 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.
5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Also Known As: Piperic acid, Piperonic acid, (E,E)-piperic acid, NCIStruc1_000766, NCIStruc2_000859
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5285-18-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O |
| InChIKey | RHBGITBPARBDPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid (CAS 5285-18-7), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
Property Insights of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid has 1 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 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid is 5285-18-7.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid is C12H10O4.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid is 218.06 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.