![methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate structure](/static/products/7322/732288-95-8.webp)
methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
TL;DR: methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate (CAS 732288-95-8) is a chemical compound with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
Also Known As: methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate, methyl 4-[(4-{2-cyano-2-[(3-ethoxypropyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate, Methyl 4-[[4-[2-cyano-2-(3-ethoxypropylcarbamoyl)ethenyl]-2-methoxy-phenoxy]methyl]benzoate
| Molecular Formula | C25H28N2O6 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.51058 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 452.19473 |
| Heavy Atoms | 33 |
| Complexity | 1008.5475 |
Chemical Identifiers
| CAS Number | 732288-95-8 |
|---|---|
| SMILES | CCOCCCNC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC)C#N |
Product Overview
methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate (CAS 732288-95-8), with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol. IUPAC: methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
Property Insights of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
The XLogP value of 3.51058 indicates that methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The CAS number of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is 732288-95-8.
What is the molecular formula of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The molecular formula of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is C25H28N2O6.
What is the molecular weight of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The molecular weight of methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is 452.19 g/mol.
Where can I buy methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
You can request a quote for methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[4-[2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.