![(S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one structure](/static/products/117/1173684-86-0.png)
(S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one
TL;DR: (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one (CAS 1173684-86-0) is a chemical compound with molecular formula C22H24FN5O2 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one
Also Known As: (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one, 3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one, 3-{(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C22H24FN5O2 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 2.4765 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1914 |
| Heavy Atoms | 30 |
| Complexity | 1104.461 |
Chemical Identifiers
| CAS Number | 1173684-86-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one (CAS 1173684-86-0), with molecular formula C22H24FN5O2 and molecular weight 409.19 g/mol. IUPAC: 3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one
Property Insights of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one
The XLogP value of 2.4765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one. Following Lipinski's Rule of Five, (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one has 0 hydrogen bond donor(s) and 5 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 (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one?
The CAS number of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one is 1173684-86-0.
What is the molecular formula of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one?
The molecular formula of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one is C22H24FN5O2.
What is the molecular weight of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one?
The molecular weight of (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one is 409.19 g/mol.
Where can I buy (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one?
You can request a quote for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1-(4-(4-fluorophenyl)piperazin-1-yl)-3-methyl-1-oxobutan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.