(4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione
TL;DR: (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione (CAS 488717-90-4) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(4-hydroxyphenyl)methanethione
Also Known As: (4-benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione, 4-[(4-benzyl-1-piperazinyl)carbonothioyl]phenol, 4-(4-BENZYLPIPERAZINE-1-CARBOTHIOYL)PHENOL, 4-[(4-benzylpiperazin-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one, 4-[(4-benzylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 2.8855 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 619.2952 |
Chemical Identifiers
| CAS Number | 488717-90-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)O |
Product Overview
(4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione (CAS 488717-90-4), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(4-hydroxyphenyl)methanethione.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione
Property Insights of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione
The XLogP value of 2.8855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione. With a topological polar surface area (TPSA) of 26.71 Ų, (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)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-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione?
The CAS number of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione is 488717-90-4.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione?
The molecular formula of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione is C18H20N2OS.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione?
The molecular weight of (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione is 312.13 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione?
You can request a quote for (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)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)(4-hydroxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(4-hydroxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.