4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 478845-86-2) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, F1092-1368, 4-[(E)-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(1E,3E)-4-(2-methoxyphenyl)-1-azabuta-1,3-dienyl]-2,3-dimethyl-1-phenyl-3-p yrazolin-5-one
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.90872 |
| Topological Polar Surface Area | 48.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 1011.4806 |
Chemical Identifiers
| CAS Number | 478845-86-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C/C3=CC=CC=C3OC |
Product Overview
4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 478845-86-2), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 4-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.90872 indicates that 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)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 48.52 Ų, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)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, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 0 hydrogen bond donor(s) and 3 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-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 478845-86-2.
What is the molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C21H21N3O2.
What is the molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 347.16 g/mol.
Where can I buy 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)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 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)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.