Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate
TL;DR: Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate (CAS 40642-95-3) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate
Also Known As: Ethyl N-acetyl-3-nitrotyrosinate, N-Acetyl-L-3-nitrotyrosine ethyl ester, n-acetyl-3-nitrotyrosine ethyl ester, ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate, Ethyl 2-acetamido-3-(4-hydroxy-3-nitro-phenyl)propanoate
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 0.9107 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 557.5925 |
Chemical Identifiers
| CAS Number | 40642-95-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C |
Product Overview
Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate (CAS 40642-95-3), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate
Property Insights of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate
The XLogP value of 0.9107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate has 2 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 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate?
The CAS number of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate is 40642-95-3.
What is the molecular formula of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular formula of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate is C13H16N2O6.
What is the molecular weight of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular weight of Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate is 296.10 g/mol.
Where can I buy Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate?
You can request a quote for Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.