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CAS 3542-13-0 SELENOCYSTAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 3542-13-0

SELENOCYSTAMINE DIHYDROCHLORIDE

  • Product code: SSC-142418
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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: 10g
  • Available purity: ＞97%
  • 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 3542-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

3542-13-0 / 2-(2-aminoethyldiselanyl)ethanamine;dihydrochloride

Standard CAS: 3542-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3542-13-0
Multi CAS
Yes
Molecular Formula
C4H14CL2N2SE2
Molecular Weight
319.000000
Exact Mass
319.886450
InChI
InChI=1S/C4H12N2Se2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
InChIKey
LACKHEAUUXZNBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.73
TPSA
52.04

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.07
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-4.73

Drug-likeness / Medicinal Chemistry

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

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