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CAS 4346-64-9 METHYLPHENYLSELENIDE molecular structure lightbox
CAS RN: 4346-64-9

METHYLPHENYLSELENIDE

  • Product code: SSC-151674
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4346-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4346-64-9 / methylselanylbenzene

Standard CAS: 4346-64-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4346-64-9
Multi CAS
Yes
Molecular Formula
C7H8SE
Molecular Weight
171.110000
Exact Mass
171.979120
InChI
InChI=1S/C7H8Se/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
CMWZAOHBWAWUGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
37.69
TPSA
0.0000

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

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
1.5

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