(S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione
TL;DR: (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione (CAS 1173686-40-2) is a chemical compound with molecular formula C21H21FN4O3 and molecular weight 396.15976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
Also Known As: (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione, 3-{(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2-hydroxyquinazolin-4(3H)-one, 3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
Technical Specifications
| Molecular Formula | C21H21FN4O3 |
| Molecular Weight | 396.15976 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.15976 Da |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
| SMILES | C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4NC3=O |
| InChIKey | RUPXAPRLFHOUFW-AWEZNQCLSA-N |
Chemical Property Profile of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione
Property Insights of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione?
The CAS number of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione is 1173686-40-2.
What is the molecular formula of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione?
The molecular formula of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione is C21H21FN4O3.
What is the molecular weight of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione?
The molecular weight of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione is 396.15976 g/mol.
Where can I buy (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione?
You can request a quote for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)quinazoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.