![ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate structure](/static/products/121/1214067-82-9.png)
ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
TL;DR: ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate (CAS 1214067-82-9) is a chemical compound with molecular formula C21H24N4O10S and molecular weight 524.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-3-(4-hydroxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate
Also Known As: ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate, ethyl 3-hydroxy-3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-4-((4-sulfamoylphenyl)amino)butanamido)propanoate, ethyl 3-hydroxy-3-(4-hydroxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate
| Molecular Formula | C21H24N4O10S |
|---|---|
| Molecular Weight | 524.12 g/mol |
| LogP | 0.448 |
| Topological Polar Surface Area | 228.26 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 524.12134 |
| Heavy Atoms | 36 |
| Complexity | 1247.844 |
Chemical Identifiers
| CAS Number | 1214067-82-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC(=C(C=C1)O)[N+](=O)[O-])O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate (CAS 1214067-82-9), with molecular formula C21H24N4O10S and molecular weight 524.12 g/mol. IUPAC: ethyl 3-hydroxy-3-(4-hydroxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate.
Chemical Property Profile of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
Property Insights of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
The XLogP value of 0.448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate. The TPSA of 228.26 Ų indicates high polarity, suggesting ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The CAS number of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is 1214067-82-9.
What is the molecular formula of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The molecular formula of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is C21H24N4O10S.
What is the molecular weight of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The molecular weight of ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is 524.12 g/mol.
Where can I buy ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
You can request a quote for ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl beta-hydroxy-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.