methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate (CAS 588680-43-7) is a chemical compound with molecular formula C14H21N3O2S2 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate, Methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylate, methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate, methyl 2-{[(4-ethylpiperazin-1-yl)carbonothioyl]amino}-5-methylthiophene-3-carboxylate, methyl 2-{[(4-ethylpiperazinyl)thioxomethyl]amino}-5-methylthiophene-3-carboxy late
| Molecular Formula | C14H21N3O2S2 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.17742 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1075 |
| Heavy Atoms | 21 |
| Complexity | 522.2888 |
Chemical Identifiers
| CAS Number | 588680-43-7 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)NC2=C(C=C(S2)C)C(=O)OC |
Product Overview
methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate (CAS 588680-43-7), with molecular formula C14H21N3O2S2 and molecular weight 327.11 g/mol. IUPAC: methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate
The XLogP value of 2.17742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate. With a topological polar surface area (TPSA) of 44.81 Ų, methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate 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-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is 588680-43-7.
What is the molecular formula of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is C14H21N3O2S2.
What is the molecular weight of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate is 327.11 g/mol.
Where can I buy methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(4-ethylpiperazine-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-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-ethylpiperazine-1-carbothioamido)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.