![[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate structure](/static/products/5685/568561-30-8.webp)
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate
TL;DR: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate (CAS 568561-30-8) is a chemical compound with molecular formula C21H23N5O7S and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate
Also Known As: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate|[3-(4,5,6,7-tetrahydro-3H-azepin-2-ylsulfamoyl)phenyl]carbamoylmethyl 4-amino-3-nitro-benzoate|2-Oxo-2-{3-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)sulfamoyl]anilino}ethyl 4-amino-3-nitrobenzoate|MLS002246355|SMR001309971
| Molecular Formula | C21H23N5O7S |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 2.2233 |
| Topological Polar Surface Area | 183.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1318 |
| Heavy Atoms | 34 |
| Complexity | 1243.8234 |
Chemical Identifiers
| CAS Number | 568561-30-8 |
|---|---|
| SMILES | C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-] |
Product Overview
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate (CAS 568561-30-8), with molecular formula C21H23N5O7S and molecular weight 489.13 g/mol. IUPAC: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate.
Chemical Property Profile of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate
Property Insights of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate
The XLogP value of 2.2233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate. The TPSA of 183.09 Ų indicates high polarity, suggesting [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate has 3 hydrogen bond donor(s) and 9 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 [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate?
The CAS number of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate is 568561-30-8.
What is the molecular formula of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate?
The molecular formula of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate is C21H23N5O7S.
What is the molecular weight of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate?
The molecular weight of [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate is 489.13 g/mol.
Where can I buy [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate?
You can request a quote for [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 4-amino-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.