![Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate structure](/static/products/1008/1008070-91-4.webp)
Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
TL;DR: Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate (CAS 1008070-91-4) is a chemical compound with molecular formula C16H18ClN3O4S and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, ethyl (1-{[(3-chlorophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate, F3087-4346, ETHYL 2-(1-{[(3-CHLOROPHENYL)FORMAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE, ethyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C16H18ClN3O4S |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 1.1083 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.07065 |
| Heavy Atoms | 25 |
| Complexity | 697.71234 |
Chemical Identifiers
| CAS Number | 1008070-91-4 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)Cl |
Product Overview
Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate (CAS 1008070-91-4), with molecular formula C16H18ClN3O4S and molecular weight 383.07 g/mol. IUPAC: ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Property Insights of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
The XLogP value of 1.1083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[1-[(3-chlorobenzoyl)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-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[1-[(3-chlorobenzoyl)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-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The CAS number of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is 1008070-91-4.
What is the molecular formula of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The molecular formula of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is C16H18ClN3O4S.
What is the molecular weight of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
The molecular weight of Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate is 383.07 g/mol.
Where can I buy Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
You can request a quote for Ethyl 2-[1-[(3-chlorobenzoyl)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-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.