CAS RN: 67790-05-0
Edaravone Impurity 26
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.20250205 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67790-05-0
- Purity/Analytical Methods: >99.0%
67790-05-0 / N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
Basic Information
CAS
67790-05-0
Multi CAS
Yes
Molecular Formula
C16H18N4O
Molecular Weight
282.340000
Exact Mass
282.148061
InChI
InChI=1S/C16H18N4O/c1-13(17-18-14-8-4-2-5-9-14)12-16(21)20-19-15-10-6-3-7-11-15/h2-11,18-19H,12H2,1H3,(H,20,21)
InChIKey
QTLGWFRBRJWQGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
86
TPSA
65.52
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 67795-42-0 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67795-42-0.gif)
