1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one
TL;DR: 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one (CAS 159212-50-7) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzyliminomethyl)-5-nitro-1H-indol-2-ol
Also Known As: BIM-0042479.P001, 3-(benzyliminomethyl)-5-nitro-1H-indol-2-ol, 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one, (E)-3-((benzylamino)methylene)-5-nitroindolin-2-one, 3-[(benzylamino)methylidene]-5-nitro-1H-indol-2-one
Technical Specifications
| Molecular Formula | C16H13N3O3 |
| Molecular Weight | 295.0957 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | C1=CC=C(C=C1)CN=CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O |
| InChIKey | QHCXTJNJIGXXAU-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one
Property Insights of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one
The XLogP value of 3.1 indicates that 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-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
What is the CAS number of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one?
The CAS number of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one is 159212-50-7.
What is the molecular formula of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one?
The molecular formula of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one is C16H13N3O3.
What is the molecular weight of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one?
The molecular weight of 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one is 295.0957 g/mol.
Where can I buy 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one?
You can request a quote for 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one?
Yes, CoreyChem provides custom synthesis services for 1,3-Dihydro-5-nitro-3-(((phenylmethyl)amino)methylene)-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.