(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
TL;DR: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione (CAS 331667-37-9) is a chemical compound with molecular formula C17H11IN2O4 and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
Also Known As: BAS 00387320, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione, 4-(1,3-benzodioxol-5-ylmethylene)-1-(4-iodophenyl)-3,5-pyrazolidinedione, 4-Benzo[1,3]dioxol-5-ylmethylene-1-(4-iodo-phenyl)-pyrazolidine-3,5-dione, 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-1-(4-iodophenyl)-1,2-diazolidine -3,5-dione
| Molecular Formula | C17H11IN2O4 |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | 2.4813 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.97635 |
| Heavy Atoms | 24 |
| Complexity | 876.6593 |
Chemical Identifiers
| CAS Number | 331667-37-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)NN(C3=O)C4=CC=C(C=C4)I |
Product Overview
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione (CAS 331667-37-9), with molecular formula C17H11IN2O4 and molecular weight 433.98 g/mol. IUPAC: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione.
Chemical Property Profile of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
Property Insights of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
The XLogP value of 2.4813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione. Following Lipinski's Rule of Five, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione has 1 hydrogen bond donor(s) and 4 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 (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione?
The CAS number of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione is 331667-37-9.
What is the molecular formula of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione?
The molecular formula of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione is C17H11IN2O4.
What is the molecular weight of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione?
The molecular weight of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione is 433.98 g/mol.
Where can I buy (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione?
You can request a quote for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)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 (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.