![ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate structure](/static/products/800/80056-93-5.png)
ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate
TL;DR: ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate (CAS 80056-93-5) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxyphenyl)iminobutanoate
Also Known As: ethyl 3-[(4-methoxyphenyl)imino]butanoate, ethyl 3-(4-methoxyphenyl)iminobutanoate, ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate, ethyl (3E)-4-(4-methoxyphenyl)-3-methyl-4-azabut-3-enoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.7408 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 395.63052 |
Chemical Identifiers
| CAS Number | 80056-93-5 |
|---|---|
| SMILES | CCOC(=O)CC(=NC1=CC=C(C=C1)OC)C |
Product Overview
ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate (CAS 80056-93-5), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 3-(4-methoxyphenyl)iminobutanoate.
Chemical Property Profile of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate
Property Insights of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate
The XLogP value of 2.7408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate. With a topological polar surface area (TPSA) of 47.89 Ų, ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate has 0 hydrogen bond donor(s) and 4 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 (3E)-3-[(4-methoxyphenyl)imino]butanoate?
The CAS number of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate is 80056-93-5.
What is the molecular formula of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate?
The molecular formula of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate is C13H17NO3.
What is the molecular weight of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate?
The molecular weight of ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate is 235.12 g/mol.
Where can I buy ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate?
You can request a quote for ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3E)-3-[(4-methoxyphenyl)imino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.