(4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione
TL;DR: (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione (CAS 5360-82-7) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanethione
Also Known As: (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione, A3626/0153790, 1-benzyl-4-(3,4-diethoxybenzenecarbothioyl)piperazine, (3,4-diethoxyphenyl)[4-benzylpiperazinyl]methane-1-thione, (4-benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanethione
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 3.9773 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 743.2329 |
Chemical Identifiers
| CAS Number | 5360-82-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC |
Product Overview
(4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione (CAS 5360-82-7), with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanethione.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione
Property Insights of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione
The XLogP value of 3.9773 indicates that (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione has 0 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 (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione?
The CAS number of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione is 5360-82-7.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione?
The molecular formula of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione is C22H28N2O2S.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione?
The molecular weight of (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione is 384.19 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione?
You can request a quote for (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(3,4-diethoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.