BAS 00552844
TL;DR: BAS 00552844 (CAS 331751-53-2) is a chemical compound with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: BAS 00552844, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione, (E)-(4-chlorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
| Molecular Formula | C22H14ClN3O5 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.2695 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0622 |
| Heavy Atoms | 31 |
| Complexity | 1208.1584 |
Chemical Identifiers
| CAS Number | 331751-53-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00552844 (CAS 331751-53-2), with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00552844
Property Insights of BAS 00552844
The XLogP value of 4.2695 indicates that BAS 00552844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552844. Following Lipinski's Rule of Five, BAS 00552844 has 1 hydrogen bond donor(s) and 6 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 00552844?
The CAS number of BAS 00552844 is 331751-53-2.
What is the molecular formula of BAS 00552844?
The molecular formula of BAS 00552844 is C22H14ClN3O5.
What is the molecular weight of BAS 00552844?
The molecular weight of BAS 00552844 is 435.06 g/mol.
Where can I buy BAS 00552844?
You can request a quote for BAS 00552844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552844?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.