AB00097080-01
TL;DR: AB00097080-01 (CAS 332149-06-1) is a chemical compound with molecular formula C18H14FNO3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Also Known As: AB00097080-01, (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione, 4-benzoyl-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C18H14FNO3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 2.8772 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.09576 |
| Heavy Atoms | 23 |
| Complexity | 814.02625 |
Chemical Identifiers
| CAS Number | 332149-06-1 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=CC=C3F |
Product Overview
AB00097080-01 (CAS 332149-06-1), with molecular formula C18H14FNO3 and molecular weight 311.10 g/mol. IUPAC: (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione.
Chemical Property Profile of AB00097080-01
Property Insights of AB00097080-01
The XLogP value of 2.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097080-01. With a topological polar surface area (TPSA) of 57.61 Ų, AB00097080-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00097080-01 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 AB00097080-01?
The CAS number of AB00097080-01 is 332149-06-1.
What is the molecular formula of AB00097080-01?
The molecular formula of AB00097080-01 is C18H14FNO3.
What is the molecular weight of AB00097080-01?
The molecular weight of AB00097080-01 is 311.10 g/mol.
Where can I buy AB00097080-01?
You can request a quote for AB00097080-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097080-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097080-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.