CAS RN: 956777-74-5
1-(2-CHLORO-BENZYL)-1H-PYRAZOL-4-YLAMINE
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.20250712 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS956777-74-5
- Purity/Analytical Methods: >99.0%
956777-74-5 / 1-[(2-chlorophenyl)methyl]pyrazol-4-amine
Basic Information
CAS
956777-74-5
Multi CAS
No
Molecular Formula
C10H10CLN3
Molecular Weight
207.660000
Exact Mass
207.056325
InChI
InChI=1S/C10H10ClN3/c11-10-4-2-1-3-8(10)6-14-7-9(12)5-13-14/h1-5,7H,6,12H2
InChIKey
PZQYFVCAUFJJAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.19
TPSA
43.84
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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