CAS RN: 1152162-74-7
DPPS , Diphenylbis(4-(pyridin-3-yl)phenyl)silane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250704 | 10g | Out of stock | Inquiry |
- Product code: starshine_CAS1152162-74-7
- Purity/Analytical Methods: >99.0%
1152162-74-7 / diphenyl-bis(4-pyridin-3-ylphenyl)silane
Diphenyl-bis(4-(pyridin-3-yl)phenyl)silane | diphenyl-bis[4-(pyridin-3-yl)phenyl]silane | RefChem:588878
Basic Information
CAS
1152162-74-7
Multi CAS
No
Molecular Formula
C34H26N2Si
Molecular Weight
490.700000
Exact Mass
490.186525
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CN=CC=C4)C5=CC=C(C=C5)C6=CN=CC=C6
InChI
InChI=1S/C34H26N2Si/c1-3-11-31(12-4-1)37(32-13-5-2-6-14-32,33-19-15-27(16-20-33)29-9-7-23-35-25-29)34-21-17-28(18-22-34)30-10-8-24-36-26-30/h1-26H
InChIKey
UIJLKECZHOSSHF-UHFFFAOYSA-N
Synonyms
Diphenyl-bis(4-(pyridin-3-yl)phenyl)silane
diphenyl-bis[4-(pyridin-3-yl)phenyl]silane
RefChem:588878
891-328-0
Diphenylbis(4-(pyridin-3-yl)phenyl)silane
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
156.52
TPSA
25.78
LogP / Solubility
WLOGP
5.19
MLOGP
4.6
XLogP3
5.19
Consensus LogP
4.99
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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