3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)
TL;DR: 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) (CAS 135257-92-0) is a chemical compound with molecular formula C5H7N2O2- and molecular weight 127.05075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-5-oxo-1H-pyrazol-3-olate
Also Known As: 4,4-dimethyl-5-oxo-1H-pyrazol-3-olate, 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-), 5-Hydroxy-4,4-dimethyl-4H-pyrazol-3-olate, 5-Hydroxy-4,4-dimethyl-4H-pyrazol-3-olatato
Technical Specifications
| Molecular Formula | C5H7N2O2- |
| Molecular Weight | 127.05075 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.05075 Da |
| Heavy Atoms | 9 |
| Complexity | 183.0 |
| SMILES | CC1(C(=O)NN=C1[O-])C |
| InChIKey | PGBXZDDHDXRVAV-UHFFFAOYSA-M |
Chemical Property Profile of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)
Property Insights of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-). The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-). Following Lipinski's Rule of Five, 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) has 1 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 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)?
The CAS number of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) is 135257-92-0.
What is the molecular formula of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)?
The molecular formula of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) is C5H7N2O2-.
What is the molecular weight of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)?
The molecular weight of 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) is 127.05075 g/mol.
Where can I buy 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)?
You can request a quote for 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)?
Yes, CoreyChem provides custom synthesis services for 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.