![Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate structure](/static/products/807/807360-00-5.png)
Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate
TL;DR: Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate (CAS 807360-00-5) is a chemical compound with molecular formula C23H26BrNO4 and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate
Also Known As: Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate, Pentyl 4-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]benzoate, pentyl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate, Pentyl 4-{[3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C23H26BrNO4 |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 5.8467 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 459.10452 |
| Heavy Atoms | 29 |
| Complexity | 846.45636 |
Chemical Identifiers
| CAS Number | 807360-00-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC |
Product Overview
Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate (CAS 807360-00-5), with molecular formula C23H26BrNO4 and molecular weight 459.10 g/mol. IUPAC: pentyl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate.
Chemical Property Profile of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate
Property Insights of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate
The XLogP value of 5.8467 indicates that Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate. Following Lipinski's Rule of Five, Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate?
The CAS number of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate is 807360-00-5.
What is the molecular formula of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate?
The molecular formula of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate is C23H26BrNO4.
What is the molecular weight of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate?
The molecular weight of Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate is 459.10 g/mol.
Where can I buy Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate?
You can request a quote for Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.