![(4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one structure](/static/products/3104/310455-80-2.webp)
(4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
TL;DR: (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 310455-80-2) is a chemical compound with molecular formula C17H14BrN3O and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00795893, BIM-0014994.P001, (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, 4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C17H14BrN3O |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 3.98712 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.032 |
| Heavy Atoms | 22 |
| Complexity | 878.41974 |
Chemical Identifiers
| CAS Number | 310455-80-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC(=CC=C3)Br |
Product Overview
(4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 310455-80-2), with molecular formula C17H14BrN3O and molecular weight 355.03 g/mol. IUPAC: 4-[(3-bromophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
Property Insights of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
The XLogP value of 3.98712 indicates that (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one has 1 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 (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The CAS number of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is 310455-80-2.
What is the molecular formula of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular formula of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is C17H14BrN3O.
What is the molecular weight of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular weight of (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is 355.03 g/mol.
Where can I buy (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
You can request a quote for (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(3-bromoanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.