CAS RN: 921205-02-9
TpPyPB , 1,3,5-tri(p-pyrid-3-yl-phenyl)benzene
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS921205-02-9
- Purity/Analytical Methods: >99.0%
921205-02-9 / 3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
Basic Information
CAS
921205-02-9
Multi CAS
No
Molecular Formula
C39H27N3
Molecular Weight
537.600000
Exact Mass
537.220498
InChI
InChI=1S/C39H27N3/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-27H
InChIKey
ACSHDTNTFKFOOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
42
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
172.44
TPSA
38.67
LogP / Solubility
WLOGP
9.87
MLOGP
8.73
XLogP3
8.5
Consensus LogP
9.03
Log S (ESOL)
-9.74
Class (ESOL)
Insoluble
Log S (Ali)
-11.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.07
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)
1.01
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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