![methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5886/588696-38-2.webp)
methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588696-38-2) is a chemical compound with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-methylpiperidine-1-carbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, methyl 2-{[(3-methylpiperidyl)thioxomethyl]amino}-4,5,6,7-tetrahydrobenzo[b]th iophene-3-carboxylate
| Molecular Formula | C17H24N2O2S2 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.8422 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.12793 |
| Heavy Atoms | 23 |
| Complexity | 611.9797 |
Chemical Identifiers
| CAS Number | 588696-38-2 |
|---|---|
| SMILES | CC1CCCN(C1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588696-38-2), with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol. IUPAC: methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.8422 indicates that methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 588696-38-2.
What is the molecular formula of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C17H24N2O2S2.
What is the molecular weight of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 352.13 g/mol.
Where can I buy methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(3-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.