4-(Piperonylideneamino)antipyrine
TL;DR: 4-(Piperonylideneamino)antipyrine (CAS 94332-50-0) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-(Piperonylideneamino)antipyrine, BAS 00404713, 4-N-(3,4-methylenedioxybenzalidine)-aminoantipyrine, 4-(1,3-benzodioxol-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one, (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 94332-50-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC4=C(C=C3)OCO4 |
| InChIKey | DHYACILHZHDUBX-UHFFFAOYSA-N |
Product Overview
4-(Piperonylideneamino)antipyrine (CAS 94332-50-0), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(Piperonylideneamino)antipyrine
Property Insights of 4-(Piperonylideneamino)antipyrine
The XLogP value of 3.3 indicates that 4-(Piperonylideneamino)antipyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(Piperonylideneamino)antipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Piperonylideneamino)antipyrine has 0 hydrogen bond donor(s) and 5 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-(Piperonylideneamino)antipyrine?
The CAS number of 4-(Piperonylideneamino)antipyrine is 94332-50-0.
What is the molecular formula of 4-(Piperonylideneamino)antipyrine?
The molecular formula of 4-(Piperonylideneamino)antipyrine is C19H17N3O3.
What is the molecular weight of 4-(Piperonylideneamino)antipyrine?
The molecular weight of 4-(Piperonylideneamino)antipyrine is 335.13 g/mol.
Where can I buy 4-(Piperonylideneamino)antipyrine?
You can request a quote for 4-(Piperonylideneamino)antipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Piperonylideneamino)antipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Piperonylideneamino)antipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.