![CAS 890764-63-3 N-[1-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitrobenzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/890764-63-3.gif)
CAS RN: 890764-63-3
N-[1-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitrobenzamide
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.20260508 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS890764-63-3
- Purity/Analytical Methods: >99.0%
890764-63-3 / N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]-4-nitrobenzamide
Basic Information
CAS
890764-63-3
Multi CAS
No
Molecular Formula
C22FH15N4O3
Molecular Weight
402.400000
Exact Mass
402.112819
InChI
InChI=1S/C22H15FN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)
InChIKey
BRAZLURTFMCAHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
23
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
110.01
TPSA
90.06
LogP / Solubility
WLOGP
4.84
MLOGP
4.28
XLogP3
4.7
Consensus LogP
4.61
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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