BAS 00898801
TL;DR: BAS 00898801 (CAS 332065-97-1) is a chemical compound with molecular formula C25H17F4NO3 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Also Known As: BAS 00898801, (4E)-5-(3-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione, (4E)-5-(3-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione, 5-(3-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one, 5-(3-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-[3-(trifluoromethy l)phenyl]-3-pyrrolin-2-one
| Molecular Formula | C25H17F4NO3 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 5.77922 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.11444 |
| Heavy Atoms | 33 |
| Complexity | 1279.3096 |
Chemical Identifiers
| CAS Number | 332065-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC(=CC=C4)F)/O |
Product Overview
BAS 00898801 (CAS 332065-97-1), with molecular formula C25H17F4NO3 and molecular weight 455.11 g/mol. IUPAC: (4E)-5-(3-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 00898801
Property Insights of BAS 00898801
The XLogP value of 5.77922 indicates that BAS 00898801 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 00898801 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00898801 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00898801?
The CAS number of BAS 00898801 is 332065-97-1.
What is the molecular formula of BAS 00898801?
The molecular formula of BAS 00898801 is C25H17F4NO3.
What is the molecular weight of BAS 00898801?
The molecular weight of BAS 00898801 is 455.11 g/mol.
Where can I buy BAS 00898801?
You can request a quote for BAS 00898801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898801?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.