![[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate structure](/static/products/7910/791095-31-3.webp)
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
TL;DR: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (CAS 791095-31-3) is a chemical compound with molecular formula C20H21N3O9S and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
Also Known As: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate|(4-methoxy-2-nitro-phenyl)carbamoylmethyl 3-[(4-acetylphenyl)sulfonylamino]propanoate|2-(4-Methoxy-2-nitroanilino)-2-oxoethyl N-(4-acetylbenzene-1-sulfonyl)-beta-alaninate|MLS002249776|SMR001317202
| Molecular Formula | C20H21N3O9S |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 1.6563 |
| Topological Polar Surface Area | 171.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 479.09985 |
| Heavy Atoms | 33 |
| Complexity | 1161.8031 |
Chemical Identifiers
| CAS Number | 791095-31-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate (CAS 791095-31-3), with molecular formula C20H21N3O9S and molecular weight 479.10 g/mol. IUPAC: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
Property Insights of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate
The XLogP value of 1.6563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate. The TPSA of 171.01 Ų indicates high polarity, suggesting [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate has 2 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-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The CAS number of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is 791095-31-3.
What is the molecular formula of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The molecular formula of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is C20H21N3O9S.
What is the molecular weight of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The molecular weight of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate is 479.10 g/mol.
Where can I buy [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
You can request a quote for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.