CAS RN: 439571-48-9
NDT 9513727
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260625 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260206 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251121 | 250mg | Out of stock | Inquiry | |
| Batchno.20251226 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251230 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250628 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-152010
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
439571-48-9 / 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]methanamine
Basic Information
CAS
439571-48-9
Multi CAS
No
Molecular Formula
C36H35N3O4
Molecular Weight
573.700000
Exact Mass
573.262757
InChI
InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3
InChIKey
ITACCRHKSPSKKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
29
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
7
Molar refractivity
166.09
TPSA
57.98
LogP / Solubility
WLOGP
7.68
MLOGP
6.8
XLogP3
7
Consensus LogP
7.16
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-9.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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