4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione
TL;DR: 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione (CAS 5528-58-5) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.11 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-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
Also Known As: BIM-0022848.P001, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione, 4-(1,3-benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H16N2O4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.49354 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.111 |
| Heavy Atoms | 25 |
| Complexity | 933.0165 |
Chemical Identifiers
| CAS Number | 5528-58-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C(=O)N2)C |
Product Overview
4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione (CAS 5528-58-5), with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol. IUPAC: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione
Property Insights of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione
The XLogP value of 2.49354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione 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 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione is 5528-58-5.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione is C19H16N2O4.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione is 336.11 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethylene)-1-(3,4-dimethylphenyl)-3,5-pyrazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.