(4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione
TL;DR: (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione (CAS 701222-75-5) is a chemical compound with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanethione
Also Known As: (4-benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione, (6Z)-6-[(4-benzylpiperazin-1-yl)-sulfanylmethylidene]-2-methoxycyclohexa-2,4-dien-1-one, 6-[(4-benzylpiperazin-1-yl)-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one, 6-[(4-benzylpiperazin-1-yl)-sulfanylmethylidene]-2-methoxycyclohexa-2,4-dien-1-one
| Molecular Formula | C19H22N2O2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 2.8941 |
| Topological Polar Surface Area | 35.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1402 |
| Heavy Atoms | 24 |
| Complexity | 697.7679 |
Chemical Identifiers
| CAS Number | 701222-75-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C(=S)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
(4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione (CAS 701222-75-5), with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanethione.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione
Property Insights of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione
The XLogP value of 2.8941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione. With a topological polar surface area (TPSA) of 35.94 Ų, (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione 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 (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione?
The CAS number of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione is 701222-75-5.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione?
The molecular formula of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione is C19H22N2O2S.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione?
The molecular weight of (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione is 342.14 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione?
You can request a quote for (4-Benzylpiperazin-1-yl)(2-hydroxy-3-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-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(2-hydroxy-3-methoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.