![methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate structure](/static/products/5226/522656-87-7.webp)
methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
TL;DR: methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate (CAS 522656-87-7) is a chemical compound with molecular formula C28H25BrN2O5 and molecular weight 548.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate, methyl 2-(3-{3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
| Molecular Formula | C28H25BrN2O5 |
|---|---|
| Molecular Weight | 548.09 g/mol |
| LogP | 6.0675 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.09467 |
| Heavy Atoms | 36 |
| Complexity | 1344.007 |
Chemical Identifiers
| CAS Number | 522656-87-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC)Br)OCC3=CC=CC(=C3)C |
Product Overview
methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate (CAS 522656-87-7), with molecular formula C28H25BrN2O5 and molecular weight 548.09 g/mol. IUPAC: methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Property Insights of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
The XLogP value of 6.0675 indicates that methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate?
The CAS number of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate is 522656-87-7.
What is the molecular formula of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate?
The molecular formula of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate is C28H25BrN2O5.
What is the molecular weight of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate?
The molecular weight of methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate is 548.09 g/mol.
Where can I buy methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate?
You can request a quote for methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.