![ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate structure](/static/products/5560/556010-73-2.webp)
ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate
TL;DR: ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate (CAS 556010-73-2) is a chemical compound with molecular formula C29H27N3O6 and molecular weight 513.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(Z)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate, Ethyl 4-[[(Z)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enoyl]amino]benzoate
| Molecular Formula | C29H27N3O6 |
|---|---|
| Molecular Weight | 513.19 g/mol |
| LogP | 6.40698 |
| Topological Polar Surface Area | 131.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.19 |
| Heavy Atoms | 38 |
| Complexity | 1412.653 |
Chemical Identifiers
| CAS Number | 556010-73-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-])/C#N |
Product Overview
ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate (CAS 556010-73-2), with molecular formula C29H27N3O6 and molecular weight 513.19 g/mol. IUPAC: ethyl 4-[[(Z)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate
Property Insights of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate
The XLogP value of 6.40698 indicates that ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate. Following Lipinski's Rule of Five, ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate?
The CAS number of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate is 556010-73-2.
What is the molecular formula of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate?
The molecular formula of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate is C29H27N3O6.
What is the molecular weight of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate?
The molecular weight of ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate is 513.19 g/mol.
Where can I buy ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate?
You can request a quote for ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}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-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.