![Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate structure](/static/products/5164/516458-89-2.webp)
Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate
TL;DR: Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate (CAS 516458-89-2) is a chemical compound with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate
Also Known As: methyl 2-(4-(4-(pyrimidin-2-yl)piperazine-1-carbothioamido)phenyl)acetate, methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate
| Molecular Formula | C18H21N5O2S |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 1.7111 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1416 |
| Heavy Atoms | 26 |
| Complexity | 745.9366 |
Chemical Identifiers
| CAS Number | 516458-89-2 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate (CAS 516458-89-2), with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol. IUPAC: methyl 2-[4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]phenyl]acetate.
Chemical Property Profile of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate
Property Insights of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate
The XLogP value of 1.7111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate has 1 hydrogen bond donor(s) and 6 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 Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate?
The CAS number of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate is 516458-89-2.
What is the molecular formula of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate?
The molecular formula of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate is C18H21N5O2S.
What is the molecular weight of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate?
The molecular weight of Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate is 371.14 g/mol.
Where can I buy Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate?
You can request a quote for Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.