![4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid structure](/static/products/1014/1014629-59-4.webp)
4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid
TL;DR: 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid (CAS 1014629-59-4) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid
Also Known As: 4-(3-benzo[1,3]dioxol-5-yl-3-oxo-prop-1-enyl)benzoic Acid, 4-[3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid, (E)-4-(3-(Benzo[d][1,3]dioxol-5-yl)-3-oxoprop-1-en-1-yl)benzoic acid
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.0096 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 759.11884 |
Chemical Identifiers
| CAS Number | 1014629-59-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid (CAS 1014629-59-4), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 4-[3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid
Property Insights of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid
The XLogP value of 3.0096 indicates that 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic 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 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid?
The CAS number of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid is 1014629-59-4.
What is the molecular formula of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid?
The molecular formula of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid is C17H12O5.
What is the molecular weight of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid?
The molecular weight of 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid is 296.07 g/mol.
Where can I buy 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid?
You can request a quote for 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(1,3-Benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.