3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid
TL;DR: 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid (CAS 423752-65-2) is a chemical compound with molecular formula C13H15BrO4 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid
Also Known As: CHEMBRDG-BB 5967408, 3-(5-Bromo-2,4-diethoxyphenyl)acrylic acid, 3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid, (2E)-3-(5-BROMO-2,4-DIETHOXYPHENYL)ACRYLIC ACID, 3-(5-bromo-2,4-diethoxy-phenyl)prop-2-enoic Acid
| Molecular Formula | C13H15BrO4 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 3.3443 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.01538 |
| Heavy Atoms | 18 |
| Complexity | 454.54962 |
Chemical Identifiers
| CAS Number | 423752-65-2 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C=CC(=O)O)Br)OCC |
Product Overview
3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid (CAS 423752-65-2), with molecular formula C13H15BrO4 and molecular weight 314.02 g/mol. IUPAC: 3-(5-bromo-2,4-diethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid
Property Insights of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid
The XLogP value of 3.3443 indicates that 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid is 423752-65-2.
What is the molecular formula of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid is C13H15BrO4.
What is the molecular weight of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid is 314.02 g/mol.
Where can I buy 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(5-Bromo-2,4-diethoxyphenyl)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-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2,4-diethoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.