3-Bromo-4,5-dimethoxycinnamic acid
TL;DR: 3-Bromo-4,5-dimethoxycinnamic acid (CAS 51314-72-8) is a chemical compound with molecular formula C11H11BrO4 and molecular weight 285.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
Also Known As: 3-(3-Bromo-4,5-dimethoxyphenyl)acrylic acid, 3-bromo-4,5-dimethoxycinnamic acid, 3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid, 3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoic Acid, (2E)-3-(3-BROMO-4,5-DIMETHOXYPHENYL)ACRYLIC ACID
| Molecular Formula | C11H11BrO4 |
|---|---|
| Molecular Weight | 285.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.98407 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 51314-72-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OC |
| InChIKey | XPEVBCFMEHTNHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4,5-dimethoxycinnamic acid (CAS 51314-72-8), with molecular formula C11H11BrO4 and molecular weight 285.98 g/mol. IUPAC: 3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-Bromo-4,5-dimethoxycinnamic acid
Property Insights of 3-Bromo-4,5-dimethoxycinnamic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,5-dimethoxycinnamic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Bromo-4,5-dimethoxycinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4,5-dimethoxycinnamic 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-Bromo-4,5-dimethoxycinnamic acid?
The CAS number of 3-Bromo-4,5-dimethoxycinnamic acid is 51314-72-8.
What is the molecular formula of 3-Bromo-4,5-dimethoxycinnamic acid?
The molecular formula of 3-Bromo-4,5-dimethoxycinnamic acid is C11H11BrO4.
What is the molecular weight of 3-Bromo-4,5-dimethoxycinnamic acid?
The molecular weight of 3-Bromo-4,5-dimethoxycinnamic acid is 285.98 g/mol.
Where can I buy 3-Bromo-4,5-dimethoxycinnamic acid?
You can request a quote for 3-Bromo-4,5-dimethoxycinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,5-dimethoxycinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,5-dimethoxycinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.