![ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate structure](/static/products/1214/1214708-71-0.webp)
ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate
TL;DR: ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate (CAS 1214708-71-0) is a chemical compound with molecular formula C22H26N6O8S and molecular weight 534.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoyl]amino]-3-(4-nitrophenyl)propanoate
Also Known As: ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate, ethyl 2-(4-((4-(N-carbamimidoylsulfamoyl)phenyl)amino)-4-oxobutanamido)-3-(4-nitrophenyl)propanoate, ethyl 2-[[4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoyl]amino]-3-(4-nitrophenyl)propanoate
| Molecular Formula | C22H26N6O8S |
|---|---|
| Molecular Weight | 534.15 g/mol |
| LogP | 0.5662 |
| Topological Polar Surface Area | 226.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.15326 |
| Heavy Atoms | 37 |
| Complexity | 1273.254 |
Chemical Identifiers
| CAS Number | 1214708-71-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N |
Product Overview
ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate (CAS 1214708-71-0), with molecular formula C22H26N6O8S and molecular weight 534.15 g/mol. IUPAC: ethyl 2-[[4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoyl]amino]-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate
Property Insights of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate
The XLogP value of 0.5662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate. The TPSA of 226.18 Ų indicates high polarity, suggesting ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate?
The CAS number of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate is 1214708-71-0.
What is the molecular formula of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate?
The molecular formula of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate is C22H26N6O8S.
What is the molecular weight of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate?
The molecular weight of ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate is 534.15 g/mol.
Where can I buy ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate?
You can request a quote for ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.