![CAS 68380-54-1 (1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)-HYDRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68380-54-1.gif)
CAS RN: 68380-54-1
(1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)-HYDRAZINE
- Product code: SSC-178127
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 | Beijing | Inquiry |
68380-54-1 / (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
Basic Information
CAS
68380-54-1
Multi CAS
No
Molecular Formula
C11H10N6
Molecular Weight
226.240000
Exact Mass
226.096694
InChI
InChI=1S/C11H10N6/c12-16-10-9-6-15-17(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,12H2,(H,13,14,16)
InChIKey
LEMUGTJONNUQIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.47
TPSA
81.65
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.4
Consensus LogP
1.16
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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