ChemDiv1_023387
TL;DR: ChemDiv1_023387 (CAS 309923-66-8) is a chemical compound with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: ChemDiv1_023387, BIM-0039677.P001, A2277/0095926, 4-Benzoyl-1-[2-(dimethylamino)ethyl]-5-(3-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-benzoyl-1-(2-(dimethylamino)ethyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H21FN2O3 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 2.809 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.15363 |
| Heavy Atoms | 27 |
| Complexity | 893.3096 |
Chemical Identifiers
| CAS Number | 309923-66-8 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC(=CC=C3)F |
Product Overview
ChemDiv1_023387 (CAS 309923-66-8), with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_023387
Property Insights of ChemDiv1_023387
The XLogP value of 2.809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023387. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023387. Following Lipinski's Rule of Five, ChemDiv1_023387 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_023387?
The CAS number of ChemDiv1_023387 is 309923-66-8.
What is the molecular formula of ChemDiv1_023387?
The molecular formula of ChemDiv1_023387 is C21H21FN2O3.
What is the molecular weight of ChemDiv1_023387?
The molecular weight of ChemDiv1_023387 is 368.15 g/mol.
Where can I buy ChemDiv1_023387?
You can request a quote for ChemDiv1_023387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023387?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.