![CAS 257289-82-0 2,4-dichloro-N-[(E)-1-(1,3-diphenylpyrazol-4-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/257289-82-0.gif)
CAS RN: 257289-82-0
2,4-dichloro-N-[(E)-1-(1,3-diphenylpyrazol-4-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS257289-82-0
- Purity/Analytical Methods: >99.0%
257289-82-0 / 2,4-dichloro-N-[1-(1,3-diphenylpyrazol-4-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Basic Information
CAS
257289-82-0
Multi CAS
No
Molecular Formula
C25H19Cl2N5O2
Molecular Weight
492.400000
Exact Mass
491.091580
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C=C(C(=O)NN)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H19Cl2N5O2/c26-18-11-12-20(21(27)14-18)24(33)29-22(25(34)30-28)13-17-15-32(19-9-5-2-6-10-19)31-23(17)16-7-3-1-4-8-16/h1-15H,28H2,(H,29,33)(H,30,34)/b22-13+
InChIKey
ABTGGHLOQZKJRF-LPYMAVHISA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
23
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
133.24
TPSA
102.04
LogP / Solubility
WLOGP
4.61
MLOGP
4.09
XLogP3
5.4
Consensus LogP
4.7
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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