BAS 00552831
TL;DR: BAS 00552831 (CAS 5792-56-3) is a chemical compound with molecular formula C24H19N3O7S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Also Known As: BAS 00552831, 4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide, 4-[(3Z)-3-[Hydroxy(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzene-1-sulfonamide, 4-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(3-nitrophenyl)-2-oxo-3-pyrrolinyl }benzenesulfonamide
| Molecular Formula | C24H19N3O7S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 3.17692 |
| Topological Polar Surface Area | 160.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.09436 |
| Heavy Atoms | 35 |
| Complexity | 1494.8273 |
Chemical Identifiers
| CAS Number | 5792-56-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)[N+](=O)[O-])/O |
Product Overview
BAS 00552831 (CAS 5792-56-3), with molecular formula C24H19N3O7S and molecular weight 493.09 g/mol. IUPAC: 4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide.
Chemical Property Profile of BAS 00552831
Property Insights of BAS 00552831
The XLogP value of 3.17692 indicates that BAS 00552831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.91 Ų indicates high polarity, suggesting BAS 00552831 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00552831 has 2 hydrogen bond donor(s) and 7 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 BAS 00552831?
The CAS number of BAS 00552831 is 5792-56-3.
What is the molecular formula of BAS 00552831?
The molecular formula of BAS 00552831 is C24H19N3O7S.
What is the molecular weight of BAS 00552831?
The molecular weight of BAS 00552831 is 493.09 g/mol.
Where can I buy BAS 00552831?
You can request a quote for BAS 00552831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552831?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.