4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide (CAS 433259-68-8) is a chemical compound with molecular formula C20H22ClN3O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide, 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide, [4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl][(3-chloro-2-methylphen yl)amino]methane-1-thione, 4-(1,3-BENZODIOXOL-5-YLMETHYL)-N-(3-CHLORO-2-METHYLPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C20H22ClN3O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.89172 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.11212 |
| Heavy Atoms | 27 |
| Complexity | 853.1156 |
Chemical Identifiers
| CAS Number | 433259-68-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide (CAS 433259-68-8), with molecular formula C20H22ClN3O2S and molecular weight 403.11 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
The XLogP value of 3.89172 indicates that 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.97 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide 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-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide is 433259-68-8.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide is C20H22ClN3O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide is 403.11 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.