3-Amino-5-fluoro-1H-isoindol-1-one
TL;DR: 3-Amino-5-fluoro-1H-isoindol-1-one (CAS 127511-00-6) is a chemical compound with molecular formula C8H5FN2O and molecular weight 164.03859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-fluoroisoindol-1-one
Also Known As: 3-amino-5-fluoro-isoindol-1-one, 3-AMINO-5-FLUORO-1H-ISOINDOL-1-ONE
Technical Specifications
| Molecular Formula | C8H5FN2O |
| Molecular Weight | 164.03859 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.03859 Da |
| Heavy Atoms | 12 |
| Complexity | 251.0 |
| SMILES | C1=CC2=C(C=C1F)C(=NC2=O)N |
| InChIKey | ODAOVDQLAIXWCO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-5-fluoro-1H-isoindol-1-one
Property Insights of 3-Amino-5-fluoro-1H-isoindol-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-fluoro-1H-isoindol-1-one. With a topological polar surface area (TPSA) of 55.5 Ų, 3-Amino-5-fluoro-1H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-fluoro-1H-isoindol-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-5-fluoro-1H-isoindol-1-one?
The CAS number of 3-Amino-5-fluoro-1H-isoindol-1-one is 127511-00-6.
What is the molecular formula of 3-Amino-5-fluoro-1H-isoindol-1-one?
The molecular formula of 3-Amino-5-fluoro-1H-isoindol-1-one is C8H5FN2O.
What is the molecular weight of 3-Amino-5-fluoro-1H-isoindol-1-one?
The molecular weight of 3-Amino-5-fluoro-1H-isoindol-1-one is 164.03859 g/mol.
Where can I buy 3-Amino-5-fluoro-1H-isoindol-1-one?
You can request a quote for 3-Amino-5-fluoro-1H-isoindol-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-5-fluoro-1H-isoindol-1-one?
Yes, CoreyChem provides custom synthesis services for 3-Amino-5-fluoro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.