CAS RN: 496955-47-6
N,N-dibenzyl-2-chloro-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.20250421 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-155952
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 |
496955-47-6 / N,N-dibenzyl-2-chloro-7H-purin-6-amine
Basic Information
CAS
496955-47-6
Multi CAS
No
Molecular Formula
C19H16CLN5
Molecular Weight
349.800000
Exact Mass
349.109423
InChI
InChI=1S/C19H16ClN5/c20-19-23-17-16(21-13-22-17)18(24-19)25(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,23,24)
InChIKey
WWLHJEMGMGWORO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.46
TPSA
57.7
LogP / Solubility
WLOGP
4.21
MLOGP
3.73
XLogP3
4.5
Consensus LogP
4.15
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
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
No
Log Kp (skin permeation)
-1.86
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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