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CAS 21198-79-8 SELENOSEMICARBAZIDE molecular structure lightbox
CAS RN: 21198-79-8

SELENOSEMICARBAZIDE

  • Product code: SSC-101243
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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 21198-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

21198-79-8 / SELENOSEMICARBAZIDE

Standard CAS: 21198-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21198-79-8
Multi CAS
No
Molecular Formula
CH4N3Se
Molecular Weight
137.030000
Exact Mass
137.957040
SMILES
C(=N/N)(\N)/[Se]
InChI
InChI=1S/CH4N3Se/c2-1(5)4-3/h3H2,(H2,2,4)
InChIKey
GCVPPZSLIPNFGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.56
TPSA
64.4

LogP / Solubility

WLOGP
-1.66
MLOGP
-1.47
XLogP3
-1.66
Consensus LogP
-1.6
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.82
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
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
No
Synthetic Accessibility
1

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