4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)
TL;DR: 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) (CAS 432018-90-1) is a chemical compound with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: BAS 03349273, AB00118081-01, 4,4'-(1,3-benzodioxol-5-ylmethanediyl)bis(3-methyl-1H-pyrazol-5-ol), 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol), 4,4'-(benzo[d][1,3]dioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)
| Molecular Formula | C16H16N4O4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 1.24514 |
| Topological Polar Surface Area | 115.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.11716 |
| Heavy Atoms | 24 |
| Complexity | 969.1148 |
Chemical Identifiers
| CAS Number | 432018-90-1 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2)OCO3)C4=C(NNC4=O)C |
Product Overview
4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) (CAS 432018-90-1), with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol. IUPAC: 4-[1,3-benzodioxol-5-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)
Property Insights of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)
The XLogP value of 1.24514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol). The TPSA of 115.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol). Following Lipinski's Rule of Five, 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) has 4 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 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)?
The CAS number of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) is 432018-90-1.
What is the molecular formula of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)?
The molecular formula of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) is C16H16N4O4.
What is the molecular weight of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)?
The molecular weight of 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) is 328.12 g/mol.
Where can I buy 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)?
You can request a quote for 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,3-benzodioxol-5-ylmethylene)bis(3-methyl-1H-pyrazol-5-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.