4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide (CAS 497060-95-4) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 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-(4-cyanophenyl)piperazine-1-carbothioamide
Also Known As: 4-(((4-(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZENECARBONITRILE, 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide, AO-990/15068209, 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-cyanophenyl)piperazine-1-carbothioamide, 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)-1-piperazinecarbothioamide
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 2.80158 |
| Topological Polar Surface Area | 60.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 870.5407 |
Chemical Identifiers
| CAS Number | 497060-95-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)C#N |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide (CAS 497060-95-4), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide
The XLogP value of 2.80158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide. The TPSA of 60.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide has 1 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-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide is 497060-95-4.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide is C20H20N4O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide is 380.13 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)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-(4-cyanophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-cyanophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.