ethyl 4-(2-aminophenoxy)butyrate
TL;DR: ethyl 4-(2-aminophenoxy)butyrate (CAS 112290-21-8) is a chemical compound with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
Also Known As: ethyl 4-(2-aminophenoxy)butyrate, 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(((4-chlorophenoxy)acetyl)amino)-, ethyl ester, 2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine, 2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylquinuclidine, 2-(4-Chlorophenoxyacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidi ne
| Molecular Formula | C20H21ClN2O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.2931 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09106 |
| Heavy Atoms | 28 |
| Complexity | 888.3558 |
Chemical Identifiers
| CAS Number | 112290-21-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)COC4=CC=C(C=C4)Cl |
Product Overview
ethyl 4-(2-aminophenoxy)butyrate (CAS 112290-21-8), with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol. IUPAC: ethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate.
Chemical Property Profile of ethyl 4-(2-aminophenoxy)butyrate
Property Insights of ethyl 4-(2-aminophenoxy)butyrate
The XLogP value of 4.2931 indicates that ethyl 4-(2-aminophenoxy)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-aminophenoxy)butyrate. Following Lipinski's Rule of Five, ethyl 4-(2-aminophenoxy)butyrate has 1 hydrogen bond donor(s) and 6 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-(2-aminophenoxy)butyrate?
The CAS number of ethyl 4-(2-aminophenoxy)butyrate is 112290-21-8.
What is the molecular formula of ethyl 4-(2-aminophenoxy)butyrate?
The molecular formula of ethyl 4-(2-aminophenoxy)butyrate is C20H21ClN2O4S.
What is the molecular weight of ethyl 4-(2-aminophenoxy)butyrate?
The molecular weight of ethyl 4-(2-aminophenoxy)butyrate is 420.09 g/mol.
Where can I buy ethyl 4-(2-aminophenoxy)butyrate?
You can request a quote for ethyl 4-(2-aminophenoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-aminophenoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-aminophenoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.