Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
TL;DR: Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate (CAS 5630-02-4) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Also Known As: Ethyl 3-nitrotyrosinate, Nitrotyrosine ethyl ester, BIM-0020675.P001, ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate, AE-641/00395045
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 0.7333 |
| Topological Polar Surface Area | 115.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 460.74683 |
Chemical Identifiers
| CAS Number | 5630-02-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N |
Product Overview
Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate (CAS 5630-02-4), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Property Insights of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
The XLogP value of 0.7333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate. The TPSA of 115.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-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-amino-3-(4-hydroxy-3-nitrophenyl)propanoate?
The CAS number of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate is 5630-02-4.
What is the molecular formula of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular formula of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate is C11H14N2O5.
What is the molecular weight of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular weight of Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate is 254.09 g/mol.
Where can I buy Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate?
You can request a quote for Ethyl 2-amino-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-amino-3-(4-hydroxy-3-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.