![Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate structure](/static/products/1009/1009548-44-0.webp)
Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
TL;DR: Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1009548-44-0) is a chemical compound with molecular formula C17H20FN3O4S and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[1-[(4-fluorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, propan-2-yl 2-[1-[(4-fluorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, propan-2-yl (1-{[(4-fluorophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C17H20FN3O4S |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 0.9825 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11584 |
| Heavy Atoms | 26 |
| Complexity | 708.4645 |
Chemical Identifiers
| CAS Number | 1009548-44-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1009548-44-0), with molecular formula C17H20FN3O4S and molecular weight 381.12 g/mol. IUPAC: propan-2-yl 2-[1-[(4-fluorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
Property Insights of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
The XLogP value of 0.9825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. Following Lipinski's Rule of Five, Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate has 2 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 Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The CAS number of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 1009548-44-0.
What is the molecular formula of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular formula of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is C17H20FN3O4S.
What is the molecular weight of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular weight of Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 381.12 g/mol.
Where can I buy Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
You can request a quote for Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.