5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
TL;DR: 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CAS 906128-02-7) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one, 5-[(1,3-dioxaindan-5-yl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.98592 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 874.33264 |
Chemical Identifiers
| CAS Number | 906128-02-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/NC2=S |
Product Overview
5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CAS 906128-02-7), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Property Insights of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
The XLogP value of 2.98592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one. With a topological polar surface area (TPSA) of 50.8 Ų, 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one 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 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The CAS number of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is 906128-02-7.
What is the molecular formula of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The molecular formula of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is C18H14N2O3S.
What is the molecular weight of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The molecular weight of 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is 338.07 g/mol.
Where can I buy 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
You can request a quote for 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2H-1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.