![Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate structure](/static/products/1008/1008075-94-2.webp)
Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
TL;DR: Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate (CAS 1008075-94-2) is a chemical compound with molecular formula C18H22ClN3O4S and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: VU0508747-1, F3087-2250, propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate, PROPYL 2-(1-{[2-(4-CHLOROPHENYL)ACETAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE, propyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C18H22ClN3O4S |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 1.4273 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10196 |
| Heavy Atoms | 27 |
| Complexity | 711.06323 |
Chemical Identifiers
| CAS Number | 1008075-94-2 |
|---|---|
| SMILES | CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)Cl |
Product Overview
Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate (CAS 1008075-94-2), with molecular formula C18H22ClN3O4S and molecular weight 411.10 g/mol. IUPAC: propyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Property Insights of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
The XLogP value of 1.4273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)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 Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
The CAS number of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate is 1008075-94-2.
What is the molecular formula of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
The molecular formula of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate is C18H22ClN3O4S.
What is the molecular weight of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
The molecular weight of Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate is 411.10 g/mol.
Where can I buy Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
You can request a quote for Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl (1-{[(4-chlorophenyl)acetyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.