1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione
TL;DR: 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione (CAS 331667-52-8) is a chemical compound with molecular formula C12H11IN2O2 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-iodophenyl)-4-propan-2-ylidenepyrazolidine-3,5-dione
Also Known As: 1-(4-iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione, BAS 00387346, 1-(4-iodophenyl)-4-propan-2-ylidenepyrazolidine-3,5-dione, 1-(4-Iodo-phenyl)-4-isopropylidene-pyrazolidine-3,5-dione
| Molecular Formula | C12H11IN2O2 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | 2.0054 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.98654 |
| Heavy Atoms | 17 |
| Complexity | 515.8121 |
Chemical Identifiers
| CAS Number | 331667-52-8 |
|---|---|
| SMILES | CC(=C1C(=O)NN(C1=O)C2=CC=C(C=C2)I)C |
Product Overview
1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione (CAS 331667-52-8), with molecular formula C12H11IN2O2 and molecular weight 341.99 g/mol. IUPAC: 1-(4-iodophenyl)-4-propan-2-ylidenepyrazolidine-3,5-dione.
Chemical Property Profile of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione
Property Insights of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione
The XLogP value of 2.0054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione 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
Frequently Asked Questions
What is the CAS number of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione?
The CAS number of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione is 331667-52-8.
What is the molecular formula of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione?
The molecular formula of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione is C12H11IN2O2.
What is the molecular weight of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione?
The molecular weight of 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione is 341.99 g/mol.
Where can I buy 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione?
You can request a quote for 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Iodophenyl)-4-(1-methylethylidene)pyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.