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CAS 106368-34-7 5-Amino-1-tosyl-1H-pyrazolo-4-carbonitrile molecular structure lightbox
CAS RN: 106368-34-7

5-Amino-1-tosyl-1H-pyrazolo-4-carbonitrile

  • Product code: SSC-008052
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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: 5g
  • 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 106368-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

106368-34-7 / 5-amino-1-(4-methylphenyl)sulfonylpyrazole-4-carbonitrile

Standard CAS: 106368-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106368-34-7
Multi CAS
No
Molecular Formula
C11H10N4O2S
Molecular Weight
262.290000
Exact Mass
262.052447
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C11H10N4O2S/c1-8-2-4-10(5-3-8)18(16,17)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
InChIKey
IOVAWZLOAGNYBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.12
TPSA
101.77

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
1.7
Consensus LogP
1.12
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.69

Drug-likeness / Medicinal Chemistry

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

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