CAS RN: 2757083-07-9
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250322 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong, Chongqing | Inquiry |
| Batchno.20260120 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250129 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250127 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2757083-07-9
- Purity/Analytical Methods: >99.0%
2757083-07-9 / 2-[4-[3,6,8-tris[4-(cyanomethyl)phenyl]pyren-1-yl]phenyl]acetonitrile
Basic Information
CAS
2757083-07-9
Multi CAS
No
Molecular Formula
C48H30N4
Molecular Weight
662.800000
Exact Mass
662.247047
InChI
InChI=1S/C48H30N4/c49-25-21-31-1-9-35(10-2-31)43-29-44(36-11-3-32(4-12-36)22-26-50)40-19-20-42-46(38-15-7-34(8-16-38)24-28-52)30-45(37-13-5-33(6-14-37)23-27-51)41-18-17-39(43)47(40)48(41)42/h1-20,29-30H,21-24H2
InChIKey
WGPFIQPUISHGFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
40
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
209.16
TPSA
95.16
LogP / Solubility
WLOGP
11.52
MLOGP
10.19
XLogP3
10.2
Consensus LogP
10.64
Log S (ESOL)
-11.25
Class (ESOL)
Insoluble
Log S (Ali)
-13.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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