CAS RN: 1227634-69-6
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260204 | 100mg | Out of stock | Inquiry | |
| Batchno.20250913 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260120 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260121 | 250mg | Out of stock | Inquiry | |
| Batchno.20250715 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260405 | 50mg | Out of stock | Inquiry | |
| Batchno.20250118 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-026240
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1227634-69-6 / N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
Basic Information
CAS
1227634-69-6
Multi CAS
No
Molecular Formula
C24H25N7
Molecular Weight
411.500000
Exact Mass
411.217144
SMILES
CC1=CC(=CN=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C24H25N7/c1-15(2)31-14-28-21-23(26-9-8-17-13-27-20-7-5-4-6-19(17)20)29-22(30-24(21)31)18-10-16(3)11-25-12-18/h4-7,10-15,27H,8-9H2,1-3H3,(H,26,29,30)
InChIKey
ABXIUYMKZDZUDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.17
TPSA
84.31
LogP / Solubility
WLOGP
4.91
MLOGP
4.35
XLogP3
4.1
Consensus LogP
4.45
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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