(3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 302549-26-4) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-ethyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one
Also Known As: ChemDiv3_001510, IDI1_020476, AB00096251-01, BRD-K00706946-001-01-2, (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C13H11N3O2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0572 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 302549-26-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C1O)C3=NC(=S)NC3=O |
| InChIKey | TYGLXMATLODMHN-UHFFFAOYSA-N |
Product Overview
(3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 302549-26-4), with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol. IUPAC: 5-(1-ethyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one.
Chemical Property Profile of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one has 2 hydrogen bond donor(s) and 3 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 (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 302549-26-4.
What is the molecular formula of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is C13H11N3O2S.
What is the molecular weight of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 273.06 g/mol.
Where can I buy (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3Z)-1-ethyl-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 (3Z)-1-ethyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-1-ethyl-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.