![ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate structure](/static/products/103/1031749-14-0.png)
ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate
TL;DR: ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate (CAS 1031749-14-0) is a chemical compound with molecular formula C19H25N3O7S and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
Also Known As: ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate, ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}piperazin-2-yl)acetate, ethyl (3-oxo-1-{[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}piperazin-2-yl)acetate, ethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate, Ethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetate
| Molecular Formula | C19H25N3O7S |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 0.4807 |
| Topological Polar Surface Area | 115.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.14133 |
| Heavy Atoms | 30 |
| Complexity | 805.3412 |
Chemical Identifiers
| CAS Number | 1031749-14-0 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate (CAS 1031749-14-0), with molecular formula C19H25N3O7S and molecular weight 439.14 g/mol. IUPAC: ethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate.
Chemical Property Profile of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate
Property Insights of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate
The XLogP value of 0.4807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate. The TPSA of 115.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate. Following Lipinski's Rule of Five, ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate has 2 hydrogen bond donor(s) and 8 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 (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The CAS number of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate is 1031749-14-0.
What is the molecular formula of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The molecular formula of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate is C19H25N3O7S.
What is the molecular weight of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The molecular weight of ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate is 439.14 g/mol.
Where can I buy ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
You can request a quote for ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-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 ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-oxo-1-{[(3,4,5-trimethoxybenzoyl)amino]carbonothioyl}-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.