AB00096074-01
TL;DR: AB00096074-01 (CAS 113054-17-4) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one
Also Known As: AB00096074-01, (3E)-5-methyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one, (Z)-5-methyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one, 5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one, (3E)-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one
Technical Specifications
| Molecular Formula | C12H9N3O2S |
| Molecular Weight | 259.04153 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.04153 Da |
| Heavy Atoms | 18 |
| Complexity | 650.0 |
| SMILES | CC1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=S)N3)O |
| InChIKey | IUTNDFJUDBIEHV-UHFFFAOYSA-N |
Chemical Property Profile of AB00096074-01
Property Insights of AB00096074-01
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00096074-01. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096074-01. Following Lipinski's Rule of Five, AB00096074-01 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
What is the CAS number of AB00096074-01?
The CAS number of AB00096074-01 is 113054-17-4.
What is the molecular formula of AB00096074-01?
The molecular formula of AB00096074-01 is C12H9N3O2S.
What is the molecular weight of AB00096074-01?
The molecular weight of AB00096074-01 is 259.04153 g/mol.
Where can I buy AB00096074-01?
You can request a quote for AB00096074-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00096074-01?
Yes, CoreyChem provides custom synthesis services for AB00096074-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.