BAS 00552802
TL;DR: BAS 00552802 (CAS 5791-22-0) is a chemical compound with molecular formula C25H21NO5 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
Also Known As: BAS 00552802, (4Z)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione, AF-407/36019017, 4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-1H-pyrrol-2(5H)-one, 4-Benzoyl-5-(3,4-dimethoxy-phenyl)-3-hydroxy-1-phenyl-1,5-dihydro-pyrrol-2-one
| Molecular Formula | C25H21NO5 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.3301 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.14197 |
| Heavy Atoms | 31 |
| Complexity | 1155.0446 |
Chemical Identifiers
| CAS Number | 5791-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=CC=CC=C4)OC |
Product Overview
BAS 00552802 (CAS 5791-22-0), with molecular formula C25H21NO5 and molecular weight 415.14 g/mol. IUPAC: (4Z)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00552802
Property Insights of BAS 00552802
The XLogP value of 4.3301 indicates that BAS 00552802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552802. Following Lipinski's Rule of Five, BAS 00552802 has 1 hydrogen bond donor(s) and 5 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 00552802?
The CAS number of BAS 00552802 is 5791-22-0.
What is the molecular formula of BAS 00552802?
The molecular formula of BAS 00552802 is C25H21NO5.
What is the molecular weight of BAS 00552802?
The molecular weight of BAS 00552802 is 415.14 g/mol.
Where can I buy BAS 00552802?
You can request a quote for BAS 00552802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552802?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.