CAS RN: 35585-94-5
(ALPHA,GAMMA-BISDIPHENYLENE-BETA-PHENYLALLYL), FREE RADICAL
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS35585-94-5
- Purity/Analytical Methods: >99.0%
35585-94-5 / (ALPHA,GAMMA-BISDIPHENYLENE-BETA-PHENYLALLYL), FREE RADICAL
Basic Information
CAS
35585-94-5
Multi CAS
Yes
Molecular Formula
C39H27
Molecular Weight
495.600000
Exact Mass
495.211276
InChI
InChI=1S/C33H21.C6H6/c1-2-12-22(13-3-1)31(32-27-18-8-4-14-23(27)24-15-5-9-19-28(24)32)33-29-20-10-6-16-25(29)26-17-7-11-21-30(26)33;1-2-4-6-5-3-1/h1-21H;1-6H
InChIKey
JLJWIVHYUCBSRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
36
Rotatable bonds
2
Molar refractivity
164
TPSA
0.0000
LogP / Solubility
WLOGP
9.96
MLOGP
8.8
XLogP3
9.96
Consensus LogP
9.57
Log S (ESOL)
-9.74
Class (ESOL)
Insoluble
Log S (Ali)
-10.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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