![ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate structure](/static/products/161/161389-04-4.png)
ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
TL;DR: ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate (CAS 161389-04-4) is a chemical compound with molecular formula C22H26N4O9S and molecular weight 522.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate
Also Known As: BAS 00549580, AE-641/30200028, ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate, ethyl 2-({4-[4-(aminosulfonyl)anilino]-4-oxobutanoyl}amino)-3-{3-nitro-4-methoxyphenyl}propanoate, ethyl 3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-4-((4-sulfamoylphenyl)amino)butanamido)propanoate
| Molecular Formula | C22H26N4O9S |
|---|---|
| Molecular Weight | 522.14 g/mol |
| LogP | 1.2601 |
| Topological Polar Surface Area | 197.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 522.142 |
| Heavy Atoms | 36 |
| Complexity | 1230.58 |
Chemical Identifiers
| CAS Number | 161389-04-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate (CAS 161389-04-4), with molecular formula C22H26N4O9S and molecular weight 522.14 g/mol. IUPAC: ethyl 3-(4-methoxy-3-nitrophenyl)-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]propanoate.
Chemical Property Profile of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
Property Insights of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate
The XLogP value of 1.2601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate. The TPSA of 197.03 Ų indicates high polarity, suggesting ethyl O-methyl-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 O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The CAS number of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is 161389-04-4.
What is the molecular formula of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The molecular formula of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is C22H26N4O9S.
What is the molecular weight of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
The molecular weight of ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate is 522.14 g/mol.
Where can I buy ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
You can request a quote for ethyl O-methyl-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 O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl O-methyl-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.