(E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 402946-50-3) is a chemical compound with molecular formula C18H16IN3O and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-iodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[(4-iodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, F0856-0428, 4-[(E)-[(4-iodophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-[(4-iodophenyl)methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
| Molecular Formula | C18H16IN3O |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 3.83962 |
| Topological Polar Surface Area | 39.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.0338 |
| Heavy Atoms | 23 |
| Complexity | 905.93494 |
Chemical Identifiers
| CAS Number | 402946-50-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)I |
Product Overview
(E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 402946-50-3), with molecular formula C18H16IN3O and molecular weight 417.03 g/mol. IUPAC: 4-[(4-iodophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.83962 indicates that (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.29 Ų, (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 0 hydrogen bond donor(s) and 2 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 (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 402946-50-3.
What is the molecular formula of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C18H16IN3O.
What is the molecular weight of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 417.03 g/mol.
Where can I buy (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-iodobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.