![Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate structure](/static/products/1008/1008239-61-9.webp)
Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
TL;DR: Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate (CAS 1008239-61-9) is a chemical compound with molecular formula C17H20BrN3O4S and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, ethyl (1-{[(3-bromo-4-methylbenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, ethyl (1-{[(3-bromo-4-methylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C17H20BrN3O4S |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 1.52582 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0358 |
| Heavy Atoms | 26 |
| Complexity | 740.7182 |
Chemical Identifiers
| CAS Number | 1008239-61-9 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)C)Br |
Product Overview
Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate (CAS 1008239-61-9), with molecular formula C17H20BrN3O4S and molecular weight 441.04 g/mol. IUPAC: ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Property Insights of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
The XLogP value of 1.52582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)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 Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The CAS number of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is 1008239-61-9.
What is the molecular formula of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The molecular formula of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is C17H20BrN3O4S.
What is the molecular weight of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The molecular weight of Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is 441.04 g/mol.
Where can I buy Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
You can request a quote for Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)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 Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.