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CAS RN: 375394-74-4
2-(1H-BENZOIMIDAZOL-2-YL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
- Product code: SSC-144956
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
375394-74-4 / 2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-amine
Basic Information
CAS
375394-74-4
Multi CAS
No
Molecular Formula
C11H11N5
Molecular Weight
213.240000
Exact Mass
213.101445
InChI
InChI=1S/C11H11N5/c1-7-6-10(12)16(15-7)11-13-8-4-2-3-5-9(8)14-11/h2-6H,12H2,1H3,(H,13,14)
InChIKey
NTNMPDQKBQRDHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.37
TPSA
72.52
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
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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