![4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide structure](/static/products/1005/1005261-47-1.webp)
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide (CAS 1005261-47-1) is a chemical compound with molecular formula C20H27N3O2S and molecular weight 373.1824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-ylmethyl)-N-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide, 4-(1,3-benzodioxol-5-ylmethyl)-N-(bicyclo[2.2.1]hept-2-yl)piperazine-1-carbothioamide, 4-(benzo[1,3]dioxol-5-ylmethyl)-N-(6-bicyclo[2.2.1]heptyl)piperazine-1-carbothioamide, [4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl](bicyclo[2.2.1]hept-2-y lamino)methane-1-thione
Technical Specifications
| Molecular Formula | C20H27N3O2S |
| Molecular Weight | 373.1824 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.1824 Da |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
| SMILES | C1CC2CC1CC2NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | DSTYRSYHTVOIEM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide
The XLogP value of 3.0 indicates that 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)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
What is the CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide is 1005261-47-1.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide is C20H27N3O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide is 373.1824 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.