4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide (CAS 433313-79-2) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 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-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide, 4-(benzo[1,3]dioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide, 4-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide, [4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl][(2,5-dimethoxyphenyl)a mino]methane-1-thione, 4-(1,3-BENZODIOXOL-5-YLMETHYL)-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.9471 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 884.2251 |
Chemical Identifiers
| CAS Number | 433313-79-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide (CAS 433313-79-2), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 2.9471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 55.43 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 6 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-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide is 433313-79-2.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide is C21H25N3O4S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide is 415.16 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.