![Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate structure](/static/products/855/855370-85-3.png)
Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate
TL;DR: Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate (CAS 855370-85-3) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate
Also Known As: ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate, methyl 3-(4-ethoxycarbonylphenyl)amino-2-butenoate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 855370-85-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=CC(=O)OC)C |
| InChIKey | PGYKSUNEBJRXQK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate (CAS 855370-85-3), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate
Property Insights of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate
The XLogP value of 3.0 indicates that Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate has 1 hydrogen bond donor(s) and 5 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-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate?
The CAS number of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate is 855370-85-3.
What is the molecular formula of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate?
The molecular formula of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate is C14H17NO4.
What is the molecular weight of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate?
The molecular weight of Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate is 263.12 g/mol.
Where can I buy Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate?
You can request a quote for Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]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-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-methoxy-4-oxobut-2-en-2-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.