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CAS 691900-59-1 6-METHOXY-1H-INDAZOLE-3-CARBONITRILE molecular structure lightbox
CAS RN: 691900-59-1

6-METHOXY-1H-INDAZOLE-3-CARBONITRILE

  • Product code: SSC-178814
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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: ＞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 691900-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

691900-59-1 / 6-methoxy-1H-indazole-3-carbonitrile

Standard CAS: 691900-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
691900-59-1
Multi CAS
No
Molecular Formula
C9H7N3O
Molecular Weight
173.170000
Exact Mass
173.058912
InChI
InChI=1S/C9H7N3O/c1-13-6-2-3-7-8(4-6)11-12-9(7)5-10/h2-4H,1H3,(H,11,12)
InChIKey
QAJXYNLOGLGDCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.36
TPSA
61.7

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.6
Consensus LogP
1.44
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.75

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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