![tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate structure](/static/products/865/865659-64-9.png)
tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate
TL;DR: tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate (CAS 865659-64-9) is a chemical compound with molecular formula C21H26N4O5S and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate
Also Known As: tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate, tert-butyl 4-{[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-2-thioxo-1-imidazolidinyl]methyl}tetrahydro-1(2H)-pyrazinecarboxylate
| Molecular Formula | C21H26N4O5S |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 1.9831 |
| Topological Polar Surface Area | 83.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.16238 |
| Heavy Atoms | 31 |
| Complexity | 934.18805 |
Chemical Identifiers
| CAS Number | 865659-64-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)NC2=S |
Product Overview
tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate (CAS 865659-64-9), with molecular formula C21H26N4O5S and molecular weight 446.16 g/mol. IUPAC: tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate
Property Insights of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate
The XLogP value of 1.9831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate. The TPSA of 83.58 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 7 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 tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The CAS number of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate is 865659-64-9.
What is the molecular formula of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The molecular formula of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate is C21H26N4O5S.
What is the molecular weight of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
The molecular weight of tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate is 446.16 g/mol.
Where can I buy tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
You can request a quote for tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-[[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.