(3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 113054-16-3) is a chemical compound with molecular formula C11H6BrN3O2S and molecular weight 322.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one
Also Known As: (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one, (E)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one, 5-bromo-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, (3E)-5-bromo-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, (3Z)-5-bromo-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
| Molecular Formula | C11H6BrN3O2S |
|---|---|
| Molecular Weight | 322.94 g/mol |
| LogP | 0.89919 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.9364 |
| Heavy Atoms | 18 |
| Complexity | 849.90375 |
Chemical Identifiers
| CAS Number | 113054-16-3 |
|---|---|
| SMILES | C1=CC2=NC(=O)C(=C2C=C1Br)C3=C(NC(=S)N3)O |
Product Overview
(3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one (CAS 113054-16-3), with molecular formula C11H6BrN3O2S and molecular weight 322.94 g/mol. IUPAC: 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one.
Chemical Property Profile of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 0.89919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one has 3 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)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 113054-16-3.
What is the molecular formula of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is C11H6BrN3O2S.
What is the molecular weight of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one is 322.94 g/mol.
Where can I buy (3Z)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3Z)-5-bromo-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)-5-bromo-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-5-bromo-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.