3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
TL;DR: 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid (CAS 5391-70-8) is a chemical compound with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
Also Known As: 3-(2-aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
| Molecular Formula | C17H16BrNO4 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.02628 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 5391-70-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=CC2=CC=CC=C2N)C(=O)O)Br)OC |
| InChIKey | XMHSSYYKBDBYIO-UHFFFAOYSA-N |
Product Overview
3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid (CAS 5391-70-8), with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol. IUPAC: 3-(2-aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
Property Insights of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
The XLogP value of 3.5 indicates that 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid has 2 hydrogen bond donor(s) and 5 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-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid is 5391-70-8.
What is the molecular formula of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid is C17H16BrNO4.
What is the molecular weight of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid is 377.03 g/mol.
Where can I buy 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)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-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Aminophenyl)-2-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.