![(2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid structure](/static/products/799/799783-40-7.png)
(2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid
TL;DR: (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid (CAS 799783-40-7) is a chemical compound with molecular formula C20H19BrClNO5 and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]prop-2-enoic acid
Also Known As: (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid, (E)-2-acetamido-3-(4-((4-bromobenzyl)oxy)-3-chloro-5-ethoxyphenyl)acrylic acid, (E)-2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]prop-2-enoic acid, (E)-2-Acetylamino-3-[4-(4-bromo-benzyloxy)-3-chloro-5-ethoxy-phenyl]-acrylic acid, 2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxy-phenyl]prop-2-enoic Acid
| Molecular Formula | C20H19BrClNO5 |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 4.6418 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.01352 |
| Heavy Atoms | 28 |
| Complexity | 896.21423 |
Chemical Identifiers
| CAS Number | 799783-40-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)Cl)OCC2=CC=C(C=C2)Br |
Product Overview
(2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid (CAS 799783-40-7), with molecular formula C20H19BrClNO5 and molecular weight 467.01 g/mol. IUPAC: (E)-2-acetamido-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid
Property Insights of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid
The XLogP value of 4.6418 indicates that (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid has 2 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 (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid?
The CAS number of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid is 799783-40-7.
What is the molecular formula of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid?
The molecular formula of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid is C20H19BrClNO5.
What is the molecular weight of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid?
The molecular weight of (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid is 467.01 g/mol.
Where can I buy (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid?
You can request a quote for (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}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 (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(acetylamino)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.