![2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione structure](/static/products/899/899954-44-0.png)
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
TL;DR: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 899954-44-0) is a chemical compound with molecular formula C20H20FN3O4S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C20H20FN3O4S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 1.7091 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.11584 |
| Heavy Atoms | 29 |
| Complexity | 1047.6509 |
Chemical Identifiers
| CAS Number | 899954-44-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 899954-44-0), with molecular formula C20H20FN3O4S and molecular weight 417.12 g/mol. IUPAC: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Property Insights of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
The XLogP value of 1.7091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. Following Lipinski's Rule of Five, 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione 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 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The CAS number of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 899954-44-0.
What is the molecular formula of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular formula of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is C20H20FN3O4S.
What is the molecular weight of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular weight of 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 417.12 g/mol.
Where can I buy 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
You can request a quote for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.