Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate
TL;DR: Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate (CAS 391248-22-9) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-oxazole-4-carboxylate
Also Known As: 3-Fluoro-4-Iodopyridine, Ethyl 5-(4-((tert-butoxycarbonyl)amino)phenyl)oxazole-4-carboxylate, Ethyl 5-[(4'-N-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate, 5097AB, ethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-oxazole-4-carboxylate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 3.8653 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 713.3273 |
Chemical Identifiers
| CAS Number | 391248-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)NC(=O)OC(C)(C)C |
Product Overview
Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate (CAS 391248-22-9), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: ethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate
Property Insights of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate
The XLogP value of 3.8653 indicates that Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate 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 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate?
The CAS number of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate is 391248-22-9.
What is the molecular formula of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate?
The molecular formula of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate is C17H20N2O5.
What is the molecular weight of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate?
The molecular weight of Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate is 332.14 g/mol.
Where can I buy Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate?
You can request a quote for Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-(((1,1-dimethylethoxy)carbonyl)amino)phenyl)-4-oxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.