![Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate structure](/static/products/5164/516457-89-9.webp)
Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
TL;DR: Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate (CAS 516457-89-9) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: methyl [4-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate, methyl 2-(4-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)phenyl)acetate
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 2.1499 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 796.8721 |
Chemical Identifiers
| CAS Number | 516457-89-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 |
Product Overview
Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate (CAS 516457-89-9), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Property Insights of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
The XLogP value of 2.1499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate has 1 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 Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The CAS number of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate is 516457-89-9.
What is the molecular formula of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The molecular formula of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate is C19H21N3O4S.
What is the molecular weight of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The molecular weight of Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate is 387.13 g/mol.
Where can I buy Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
You can request a quote for Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]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 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.