(E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
TL;DR: (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (CAS 6943-71-1) is a chemical compound with molecular formula C17H14BrNO5 and molecular weight 391.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Also Known As: (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 2-(benzoylamino)-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C17H14BrNO5 |
|---|---|
| Molecular Weight | 391.01 g/mol |
| LogP | 3.0188 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.00555 |
| Heavy Atoms | 24 |
| Complexity | 802.12823 |
Chemical Identifiers
| CAS Number | 6943-71-1 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)O |
Product Overview
(E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (CAS 6943-71-1), with molecular formula C17H14BrNO5 and molecular weight 391.01 g/mol. IUPAC: (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Property Insights of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
The XLogP value of 3.0188 indicates that (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid has 3 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 (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The CAS number of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is 6943-71-1.
What is the molecular formula of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The molecular formula of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is C17H14BrNO5.
What is the molecular weight of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The molecular weight of (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is 391.01 g/mol.
Where can I buy (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
You can request a quote for (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-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 (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-benzamido-3-(2-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.