BAS 00552825
TL;DR: BAS 00552825 (CAS 331751-41-8) is a chemical compound with molecular formula C18H13ClFNO3 and molecular weight 345.06 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-fluorophenyl)-1-methylpyrrolidine-2,3-dione
Also Known As: BAS 00552825, 4-(4-chlorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, 4-(4-chlorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-methyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-fluorophenyl)-1-methylpyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-methylpyrrolidine-2,3-dione
| Molecular Formula | C18H13ClFNO3 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 3.5306 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.0568 |
| Heavy Atoms | 24 |
| Complexity | 843.5725 |
Chemical Identifiers
| CAS Number | 331751-41-8 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)F |
Product Overview
BAS 00552825 (CAS 331751-41-8), with molecular formula C18H13ClFNO3 and molecular weight 345.06 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-methylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00552825
Property Insights of BAS 00552825
The XLogP value of 3.5306 indicates that BAS 00552825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00552825 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00552825 has 1 hydrogen bond donor(s) and 3 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 00552825?
The CAS number of BAS 00552825 is 331751-41-8.
What is the molecular formula of BAS 00552825?
The molecular formula of BAS 00552825 is C18H13ClFNO3.
What is the molecular weight of BAS 00552825?
The molecular weight of BAS 00552825 is 345.06 g/mol.
Where can I buy BAS 00552825?
You can request a quote for BAS 00552825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552825?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.