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CAS 74197-19-6 1,4,5,7-TETRAHYDRO-6H-INDAZOL-6-ONE molecular structure lightbox
CAS RN: 74197-19-6

1,4,5,7-TETRAHYDRO-6H-INDAZOL-6-ONE

  • Product code: SSC-183636
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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 74197-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

74197-19-6 / 1,4,5,7-tetrahydroindazol-6-one

Standard CAS: 74197-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74197-19-6
Multi CAS
Yes
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h4H,1-3H2,(H,8,9)
InChIKey
OGVXUCHEVOYHLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.62
TPSA
45.75

LogP / Solubility

WLOGP
0.47
MLOGP
0.4
XLogP3
-0.1
Consensus LogP
0.26
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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