methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate (CAS 588680-28-8) is a chemical compound with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate, methyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-5-methylthiophe ne-3-carboxylate, methyl 2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-5-methylthiophene-3-carboxylate, Methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate, methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate
| Molecular Formula | C17H19N3O4S2 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 2.59092 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.0817 |
| Heavy Atoms | 26 |
| Complexity | 808.09454 |
Chemical Identifiers
| CAS Number | 588680-28-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC |
Product Overview
methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate (CAS 588680-28-8), with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol. IUPAC: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
The XLogP value of 2.59092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate 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 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is 588680-28-8.
What is the molecular formula of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is C17H19N3O4S2.
What is the molecular weight of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is 393.08 g/mol.
Where can I buy methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate 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-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.