![4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one structure](/static/products/1326/132603-41-9.webp)
4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
TL;DR: 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one (CAS 132603-41-9) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00388379, 4-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLMETHYLENE)-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE, 4-(1,3-benzodioxol-5-ylmethylene)-5-methyl-2-phenyl-pyrazol-3-one, 4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-phenylpyrazol-3-one, 4-(2H-1,3-BENZODIOXOL-5-YLMETHYLIDENE)-5-METHYL-2-PHENYLPYRAZOL-3-ONE
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.2214 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 840.60016 |
Chemical Identifiers
| CAS Number | 132603-41-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
Product Overview
4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one (CAS 132603-41-9), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
Property Insights of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
The XLogP value of 3.2214 indicates that 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one has 0 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-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The CAS number of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is 132603-41-9.
What is the molecular formula of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular formula of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is C18H14N2O3.
What is the molecular weight of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular weight of 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is 306.10 g/mol.
Where can I buy 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
You can request a quote for 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[3,4-D]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.