ChemDiv3_004927
TL;DR: ChemDiv3_004927 (CAS 433967-39-6) is a chemical compound with molecular formula C21H20FN3O3 and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
Also Known As: ChemDiv3_004927, IDI1_022837, 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1H-isoindole-1,3(2H)-dione, BRD-A33990863-001-01-4, 2-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)isoindoline-1,3-dione
| Molecular Formula | C21H20FN3O3 |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 2.159 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.14886 |
| Heavy Atoms | 28 |
| Complexity | 901.16693 |
Chemical Identifiers
| CAS Number | 433967-39-6 |
|---|---|
| SMILES | CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ChemDiv3_004927 (CAS 433967-39-6), with molecular formula C21H20FN3O3 and molecular weight 381.15 g/mol. IUPAC: 2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv3_004927
Property Insights of ChemDiv3_004927
The XLogP value of 2.159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004927. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004927. Following Lipinski's Rule of Five, ChemDiv3_004927 has 0 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 ChemDiv3_004927?
The CAS number of ChemDiv3_004927 is 433967-39-6.
What is the molecular formula of ChemDiv3_004927?
The molecular formula of ChemDiv3_004927 is C21H20FN3O3.
What is the molecular weight of ChemDiv3_004927?
The molecular weight of ChemDiv3_004927 is 381.15 g/mol.
Where can I buy ChemDiv3_004927?
You can request a quote for ChemDiv3_004927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004927?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.