CAS RN: 596130-35-7
Pyridine,4,4′-(9,10-anthracenediyldi-2,1-ethynediyl)bis-
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251110 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250226 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260624 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS596130-35-7
- Purity/Analytical Methods: >99.0%
596130-35-7 / 4-[2-[10-(2-pyridin-4-ylethynyl)anthracen-9-yl]ethynyl]pyridine
Basic Information
CAS
596130-35-7
Multi CAS
No
Molecular Formula
C28H16N2
Molecular Weight
380.400000
Exact Mass
380.131349
InChI
InChI=1S/C28H16N2/c1-2-6-24-23(5-1)27(11-9-21-13-17-29-18-14-21)25-7-3-4-8-26(25)28(24)12-10-22-15-19-30-20-16-22/h1-8,13-20H
InChIKey
YRDFKGXHYKIWQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
26
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
121.89
TPSA
25.78
LogP / Solubility
WLOGP
5.58
MLOGP
4.93
XLogP3
6.3
Consensus LogP
5.6
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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