(4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione
TL;DR: (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione (CAS 796067-84-0) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chlorophenyl)piperazin-1-yl]-(3,4-dihydroxy-5-methoxyphenyl)methanethione
Also Known As: (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione, 5-[4-(2-chlorophenyl)piperazine-1-carbothioyl]-3-methoxybenzene-1,2-diol, (4E)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one, (4Z)-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one, 4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 3.2575 |
| Topological Polar Surface Area | 56.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 791.8858 |
Chemical Identifiers
| CAS Number | 796067-84-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl |
Product Overview
(4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione (CAS 796067-84-0), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: [4-(2-chlorophenyl)piperazin-1-yl]-(3,4-dihydroxy-5-methoxyphenyl)methanethione.
Chemical Property Profile of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione
Property Insights of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione
The XLogP value of 3.2575 indicates that (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.17 Ų, (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione has 2 hydrogen bond donor(s) and 5 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-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione?
The CAS number of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione is 796067-84-0.
What is the molecular formula of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione?
The molecular formula of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione is C18H19ClN2O3S.
What is the molecular weight of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione?
The molecular weight of (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione is 378.08 g/mol.
Where can I buy (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione?
You can request a quote for (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-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-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-(2-Chlorophenyl)piperazin-1-yl)(3,4-dihydroxy-5-methoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.