(4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
TL;DR: (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione (CAS 887197-40-2) is a chemical compound with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1H-indole-3-carbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione
Also Known As: VU0508544-1, F3080-0004, 3-[4-(4-methoxybenzenecarbothioyl)piperazine-1-carbothioyl]-1H-indole, (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione, [4-(1H-indole-3-carbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione
| Molecular Formula | C21H21N3OS2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.8453 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1126 |
| Heavy Atoms | 27 |
| Complexity | 972.5152 |
Chemical Identifiers
| CAS Number | 887197-40-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CNC4=CC=CC=C43 |
Product Overview
(4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione (CAS 887197-40-2), with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol. IUPAC: [4-(1H-indole-3-carbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione.
Chemical Property Profile of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
Property Insights of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
The XLogP value of 3.8453 indicates that (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione has 1 hydrogen bond donor(s) and 3 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 (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione?
The CAS number of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione is 887197-40-2.
What is the molecular formula of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione?
The molecular formula of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione is C21H21N3OS2.
What is the molecular weight of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione?
The molecular weight of (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione is 395.11 g/mol.
Where can I buy (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione?
You can request a quote for (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-(1H-indole-3-carbonothioyl)piperazin-1-yl)(4-methoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.