![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 373.18 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-(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
| Molecular Formula | C20H27N3O2S |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 2.596 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.1824 |
| Heavy Atoms | 26 |
| Complexity | 689.6339 |
Chemical Identifiers
| CAS Number | 1005261-47-1 |
|---|---|
| SMILES | C1CC2CC1CC2NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide (CAS 1005261-47-1), with molecular formula C20H27N3O2S and molecular weight 373.18 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide.
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 2.596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 36.97 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bicyclo[2.2.1]heptanyl)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-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
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 373.18 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 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-bicyclo[2.2.1]heptanyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO 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.