![CAS 393784-05-9 1-(4-chlorophenyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/393784-05-9.gif)
CAS RN: 393784-05-9
1-(4-chlorophenyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- Product code: SSC-147033
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 | Hong Kong | Inquiry |
393784-05-9 / 1-(4-chlorophenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
393784-05-9
Multi CAS
No
Molecular Formula
C14H14CLN5
Molecular Weight
287.750000
Exact Mass
287.093773
InChI
InChI=1S/C14H14ClN5/c1-9(2)19-13-12-7-18-20(14(12)17-8-16-13)11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H,16,17,19)
InChIKey
DJYPPKXJBSHHDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.43
TPSA
55.63
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.6
Consensus LogP
3.27
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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