(3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 332898-65-4) is a chemical compound with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-acetyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one
Also Known As: (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one, (E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one, 1-acetyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one, (3E)-1-acetyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one, (3Z)-1-acetyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one
| Molecular Formula | C13H9N3O3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 1.2108 |
| Topological Polar Surface Area | 83.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.03647 |
| Heavy Atoms | 20 |
| Complexity | 819.62085 |
Chemical Identifiers
| CAS Number | 332898-65-4 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C(=C1O)C3=NC(=S)NC3=O |
Product Overview
(3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 332898-65-4), with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol. IUPAC: 5-(1-acetyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one.
Chemical Property Profile of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 1.2108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. The TPSA of 83.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one has 2 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 (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 332898-65-4.
What is the molecular formula of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is C13H9N3O3S.
What is the molecular weight of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 287.04 g/mol.
Where can I buy (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-acetyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.