![CAS 6975-75-3 4-[(E)-2-(4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6975-75-3.gif)
CAS RN: 6975-75-3
4-[(E)-2-(4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250527 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6975-75-3
- Purity/Analytical Methods: >99.0%
6975-75-3 / 4-[(4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
Basic Information
CAS
6975-75-3
Multi CAS
No
Molecular Formula
C10H12N6O
Molecular Weight
232.240000
Exact Mass
232.107259
InChI
InChI=1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)
InChIKey
QNRNTYHAOBVOKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
64.58
TPSA
114.67
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.3
Consensus LogP
1.69
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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