3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
TL;DR: 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid (CAS 354531-46-7) is a chemical compound with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid, (2E)-3-(3-BROMO-4-ETHOXY-5-METHOXYPHENYL)ACRYLIC ACID, 3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoic Acid, (2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C12H13BrO4 |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.99973 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 354531-46-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)C=CC(=O)O)OC |
| InChIKey | OCNNTFKDKKGPHK-UHFFFAOYSA-N |
Product Overview
3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid (CAS 354531-46-7), with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol. IUPAC: 3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
Property Insights of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic 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-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid is 354531-46-7.
What is the molecular formula of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid is C12H13BrO4.
What is the molecular weight of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid is 300.00 g/mol.
Where can I buy 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.