3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid
TL;DR: 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid (CAS 27452-00-2) is a chemical compound with molecular formula C10H7BrO4 and molecular weight 269.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: 3-(6-bromo-1,3-benzodioxol-5-yl)acrylic acid, 3-(6-Bromobenzo[d][1,3]dioxol-5-yl)acrylic acid, 2-Bromo-4,5-methylenedioxycinnamic acid, 6-Bromo-3,4-methylenedioxycinnamic acid, 6-Bromo-3,4-(methylenedioxy)cinnamic acid
| Molecular Formula | C10H7BrO4 |
|---|---|
| Molecular Weight | 269.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.95276 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 27452-00-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)O)Br |
| InChIKey | FIFYPFARGVBVGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid (CAS 27452-00-2), with molecular formula C10H7BrO4 and molecular weight 269.95 g/mol. IUPAC: 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid
Property Insights of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic 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 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid?
The CAS number of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid is 27452-00-2.
What is the molecular formula of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid?
The molecular formula of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid is C10H7BrO4.
What is the molecular weight of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid?
The molecular weight of 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid is 269.95 g/mol.
Where can I buy 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid?
You can request a quote for 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Bromo-1,3-benzodioxol-5-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.