(3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione
TL;DR: (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione (CAS 700351-05-9) is a chemical compound with molecular formula C15H22N2O2S and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methanethione
Also Known As: (3,4-dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione, (3,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methanethione, 1-(3,4-DIMETHOXYBENZENECARBOTHIOYL)-4-ETHYLPIPERAZINE
| Molecular Formula | C15H22N2O2S |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.1402 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 700351-05-9 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OC)OC |
| InChIKey | MOMYBBNCAFYAMO-UHFFFAOYSA-N |
Product Overview
(3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione (CAS 700351-05-9), with molecular formula C15H22N2O2S and molecular weight 294.14 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methanethione.
Chemical Property Profile of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione
Property Insights of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione. With a topological polar surface area (TPSA) of 57.0 Ų, (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)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 (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione?
The CAS number of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione is 700351-05-9.
What is the molecular formula of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione?
The molecular formula of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione is C15H22N2O2S.
What is the molecular weight of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione?
The molecular weight of (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione is 294.14 g/mol.
Where can I buy (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione?
You can request a quote for (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dimethoxyphenyl)(4-ethylpiperazin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.