(3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
TL;DR: (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one (CAS 331002-52-9) is a chemical compound with molecular formula C12H8BrN3O2S and molecular weight 336.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one
Also Known As: (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, 7-bromo-5-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one, (3E)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, 7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one, 7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
| Molecular Formula | C12H8BrN3O2S |
|---|---|
| Molecular Weight | 336.95 g/mol |
| LogP | 1.20761 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.95206 |
| Heavy Atoms | 19 |
| Complexity | 894.67395 |
Chemical Identifiers
| CAS Number | 331002-52-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)N=C2C(=C1)Br)C3=C(NC(=S)N3)O |
Product Overview
(3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one (CAS 331002-52-9), with molecular formula C12H8BrN3O2S and molecular weight 336.95 g/mol. IUPAC: 7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one.
Chemical Property Profile of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
Property Insights of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
The XLogP value of 1.20761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one. Following Lipinski's Rule of Five, (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-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)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one?
The CAS number of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one is 331002-52-9.
What is the molecular formula of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one?
The molecular formula of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one is C12H8BrN3O2S.
What is the molecular weight of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one?
The molecular weight of (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one is 336.95 g/mol.
Where can I buy (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one?
You can request a quote for (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-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)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.