2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
TL;DR: 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 724779-49-1) is a chemical compound with molecular formula C23H25N3OS2 and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate
Also Known As: 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate, [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate, 1-(2-methylindol-3-yl)-2-{[4-benzylpiperazinyl]thioxomethylthio}ethan-1-one, 2-(4-benzylpiperazine-1-carbothioyl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
| Molecular Formula | C23H25N3OS2 |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 4.49492 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1439 |
| Heavy Atoms | 29 |
| Complexity | 1007.39465 |
Chemical Identifiers
| CAS Number | 724779-49-1 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 724779-49-1), with molecular formula C23H25N3OS2 and molecular weight 423.14 g/mol. IUPAC: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate.
Chemical Property Profile of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
Property Insights of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
The XLogP value of 4.49492 indicates that 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.34 Ų, 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate 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 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The CAS number of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 724779-49-1.
What is the molecular formula of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular formula of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is C23H25N3OS2.
What is the molecular weight of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular weight of 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 423.14 g/mol.
Where can I buy 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
You can request a quote for 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.