(2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid
TL;DR: (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid (CAS 155814-21-4) is a chemical compound with molecular formula C10H7BrO4 and molecular weight 269.95276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: 2-Bromo-4,5-methylenedioxycinnamic acid, 3-(6-Bromobenzo[d][1,3]dioxol-5-yl)acrylic acid, bromobenzodioxolylacrylicacid, JS-091C, 6-Bromo-3,4-(methylenedioxy)cinnamic acid
Technical Specifications
| Molecular Formula | C10H7BrO4 |
| Molecular Weight | 269.95276 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.95276 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)O)Br |
| InChIKey | FIFYPFARGVBVGX-OWOJBTEDSA-N |
Chemical Property Profile of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid
Property Insights of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic 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
What is the CAS number of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid?
The CAS number of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid is 155814-21-4.
What is the molecular formula of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid?
The molecular formula of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid is C10H7BrO4.
What is the molecular weight of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid?
The molecular weight of (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid is 269.95276 g/mol.
Where can I buy (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid?
You can request a quote for (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(6-Bromo-1,3-benzodioxol-5-yl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.