![[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate structure](/static/products/852/852226-77-8.png)
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
TL;DR: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CAS 852226-77-8) is a chemical compound with molecular formula C25H23N3O7S and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate|[(4-methyl-2-nitro-phenyl)carbamoyl-phenyl-methyl] 2-(2-phenylethenylsulfonylamino)acetate|[(4-methyl-2-nitrophenyl)carbamoyl](phenyl)methyl 2-(2-phenylethenesulfonamido)acetate|EN300-26603941
| Molecular Formula | C25H23N3O7S |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 3.71652 |
| Topological Polar Surface Area | 144.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 509.12567 |
| Heavy Atoms | 36 |
| Complexity | 1375.2765 |
Chemical Identifiers
| CAS Number | 852226-77-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CAS 852226-77-8), with molecular formula C25H23N3O7S and molecular weight 509.13 g/mol. IUPAC: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
Chemical Property Profile of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Property Insights of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
The XLogP value of 3.71652 indicates that [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.71 Ų indicates high polarity, suggesting [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The CAS number of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is 852226-77-8.
What is the molecular formula of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The molecular formula of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is C25H23N3O7S.
What is the molecular weight of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The molecular weight of [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is 509.13 g/mol.
Where can I buy [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
You can request a quote for [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.