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CAS 16258-80-3 1H-pyrazole-3,4-diamine sulfate molecular structure lightbox
CAS RN: 16258-80-3

1H-pyrazole-3,4-diamine sulfate

  • Product code: SSC-070020
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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 16258-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16258-80-3 / 1H-pyrazole-4,5-diamine;sulfuric acid

Standard CAS: 16258-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16258-80-3
Multi CAS
No
Molecular Formula
C3H8N4O4S
Molecular Weight
196.190000
Exact Mass
196.026626
SMILES
C1=NNC(=C1N)N.OS(=O)(=O)O
InChI
InChI=1S/C3H6N4.H2O4S/c4-2-1-6-7-3(2)5;1-5(2,3)4/h1H,4H2,(H3,5,6,7);(H2,1,2,3,4)
InChIKey
HHINPQLWSIIXRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
H-bond acceptors
5
H-bond donors
5
Molar refractivity
41.59
TPSA
155.32

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-1.08
Consensus LogP
-1.04
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very 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)
-4.68

Drug-likeness / Medicinal Chemistry

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

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