CAS RN: 925425-96-3
B3PYMPM
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: SSC-206241
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
925425-96-3 / 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine
Basic Information
CAS
925425-96-3
Multi CAS
No
Molecular Formula
C37H26N6
Molecular Weight
554.600000
Exact Mass
554.221895
InChI
InChI=1S/C37H26N6/c1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29/h2-24H,1H3
InChIKey
XIVCFIYEIZBYMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
42
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
170.56
TPSA
77.34
LogP / Solubility
WLOGP
8.37
MLOGP
7.41
XLogP3
6.2
Consensus LogP
7.33
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.93
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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