indane-1,3-dione-2-imine-N-acetic acid
TL;DR: indane-1,3-dione-2-imine-N-acetic acid (CAS 130755-94-1) is a chemical compound with molecular formula C11H7NO4 and molecular weight 217.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1,3-dioxoinden-2-ylidene)amino]acetic acid
Also Known As: IDIAA, Indane-1,3-dione-2-imine-N-acetic acid, 2-[(1,3-dioxoinden-2-ylidene)amino]acetic acid, N-(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)glycine
Technical Specifications
| Molecular Formula | C11H7NO4 |
| Molecular Weight | 217.0375 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0375 Da |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=NCC(=O)O)C2=O |
| InChIKey | CZLLCVVDOCLZPG-UHFFFAOYSA-N |
Chemical Property Profile of indane-1,3-dione-2-imine-N-acetic acid
Property Insights of indane-1,3-dione-2-imine-N-acetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for indane-1,3-dione-2-imine-N-acetic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for indane-1,3-dione-2-imine-N-acetic acid. Following Lipinski's Rule of Five, indane-1,3-dione-2-imine-N-acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of indane-1,3-dione-2-imine-N-acetic acid?
The CAS number of indane-1,3-dione-2-imine-N-acetic acid is 130755-94-1.
What is the molecular formula of indane-1,3-dione-2-imine-N-acetic acid?
The molecular formula of indane-1,3-dione-2-imine-N-acetic acid is C11H7NO4.
What is the molecular weight of indane-1,3-dione-2-imine-N-acetic acid?
The molecular weight of indane-1,3-dione-2-imine-N-acetic acid is 217.0375 g/mol.
Where can I buy indane-1,3-dione-2-imine-N-acetic acid?
You can request a quote for indane-1,3-dione-2-imine-N-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for indane-1,3-dione-2-imine-N-acetic acid?
Yes, CoreyChem provides custom synthesis services for indane-1,3-dione-2-imine-N-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.