ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate
TL;DR: ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate (CAS 681252-45-9) is a chemical compound with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2E,4Z)-4-bromo-5-phenylpenta-2,4-dienoyl]amino]benzoate
Also Known As: ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate, F1027-0004, ethyl 4-[(2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido]benzoate, ethyl 4-[[(2E,4Z)-4-bromo-5-phenylpenta-2,4-dienoyl]amino]benzoate, ethyl p-[(1E,3Z)-3-bromo-4-phenyl-1,3-butadienylcarbonylamino]benzoate
| Molecular Formula | C20H18BrNO3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.794 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.047 |
| Heavy Atoms | 25 |
| Complexity | 780.3484 |
Chemical Identifiers
| CAS Number | 681252-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C(=C/C2=CC=CC=C2)/Br |
Product Overview
ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate (CAS 681252-45-9), with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol. IUPAC: ethyl 4-[[(2E,4Z)-4-bromo-5-phenylpenta-2,4-dienoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate
Property Insights of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate
The XLogP value of 4.794 indicates that ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate 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 ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate?
The CAS number of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate is 681252-45-9.
What is the molecular formula of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate?
The molecular formula of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate is C20H18BrNO3.
What is the molecular weight of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate?
The molecular weight of ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate is 399.05 g/mol.
Where can I buy ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate?
You can request a quote for ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((2E,4Z)-4-bromo-5-phenylpenta-2,4-dienamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.