Ethyl 2-amino-3-(4-nitrophenyl)propanoate
TL;DR: Ethyl 2-amino-3-(4-nitrophenyl)propanoate (CAS 780004-06-0) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-(4-nitrophenyl)propanoate
Also Known As: 4-nitrophenylala-nine, ethyl 2-amino-3-(4-nitrophenyl)propanoate, Ethyl 4-nitro-L-phenylalanine, 4-nitro-L-phenylalanine ethyl ester, ethyl2-amino-3-(4-nitrophenyl)propanoate
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.0277 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 402.43738 |
Chemical Identifiers
| CAS Number | 780004-06-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
Ethyl 2-amino-3-(4-nitrophenyl)propanoate (CAS 780004-06-0), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: ethyl 2-amino-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 2-amino-3-(4-nitrophenyl)propanoate
Property Insights of Ethyl 2-amino-3-(4-nitrophenyl)propanoate
The XLogP value of 1.0277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-(4-nitrophenyl)propanoate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-(4-nitrophenyl)propanoate 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 2-amino-3-(4-nitrophenyl)propanoate?
The CAS number of Ethyl 2-amino-3-(4-nitrophenyl)propanoate is 780004-06-0.
What is the molecular formula of Ethyl 2-amino-3-(4-nitrophenyl)propanoate?
The molecular formula of Ethyl 2-amino-3-(4-nitrophenyl)propanoate is C11H14N2O4.
What is the molecular weight of Ethyl 2-amino-3-(4-nitrophenyl)propanoate?
The molecular weight of Ethyl 2-amino-3-(4-nitrophenyl)propanoate is 238.10 g/mol.
Where can I buy Ethyl 2-amino-3-(4-nitrophenyl)propanoate?
You can request a quote for Ethyl 2-amino-3-(4-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-amino-3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.