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CAS 21856-94-0 Bis(4-methylphenyl) perselenide molecular structure lightbox
CAS RN: 21856-94-0

Bis(4-methylphenyl) perselenide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21856-94-0
  • Purity/Analytical Methods: >99.0%
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21856-94-0 / 1-methyl-4-[(4-methylphenyl)diselanyl]benzene

Standard CAS: 21856-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21856-94-0
Multi CAS
No
Molecular Formula
C14H14Se2
Molecular Weight
340.200000
Exact Mass
341.942590
SMILES
CC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14Se2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
KJCNOACMRYZZFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
Molar refractivity
73.13
TPSA
0.0000

LogP / Solubility

WLOGP
1.58
MLOGP
1.41
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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