CAS RN: 496955-50-1
N,N-dibenzyl-2-butyl-9-methyl-9H-purin-6-amine
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.20260401 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-155953
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 |
496955-50-1 / N,N-dibenzyl-2-butyl-9-methylpurin-6-amine
Basic Information
CAS
496955-50-1
Multi CAS
No
Molecular Formula
C24H27N5
Molecular Weight
385.500000
Exact Mass
385.226646
InChI
InChI=1S/C24H27N5/c1-3-4-15-21-26-23-22(25-18-28(23)2)24(27-21)29(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,18H,3-4,15-17H2,1-2H3
InChIKey
PNNFBLVUNIKSBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
117.69
TPSA
46.84
LogP / Solubility
WLOGP
4.91
MLOGP
4.35
XLogP3
5.2
Consensus LogP
4.82
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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