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CAS 1000343-25-8 5,7-DIFLUORO 3-(1H) INDAZOLE CARBOALDEHYDE molecular structure lightbox
CAS RN: 1000343-25-8

5,7-DIFLUORO 3-(1H) INDAZOLE CARBOALDEHYDE

  • Product code: SSC-000160
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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 1000343-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1000343-25-8 / 5,7-difluoro-2H-indazole-3-carbaldehyde

5,7-Difluoro-1H-indazole-3-carbaldehyde | 5,7-Difluoro 3-(1H) indazole carboaldehyde | 5,7-difluoro-2H-indazole-3-carbaldehyde

Standard CAS: 1000343-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000343-25-8
Multi CAS
No
Molecular Formula
C8H4F2N2O
Molecular Weight
182.130000
Exact Mass
182.029169
SMILES
C1=C(C=C(C2=NNC(=C21)C=O)F)F
InChI
InChI=1S/C8H4F2N2O/c9-4-1-5-7(3-13)11-12-8(5)6(10)2-4/h1-3H,(H,11,12)
InChIKey
UZSMNGUKMRMNAY-UHFFFAOYSA-N
Synonyms
5,7-Difluoro-1H-indazole-3-carbaldehyde 5,7-Difluoro 3-(1H) indazole carboaldehyde 5,7-difluoro-2H-indazole-3-carbaldehyde 1H-Indazole-3-carboxaldehyde, 5,7-difluoro- DTXSID90646653

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.4
TPSA
45.75

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

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
1.5

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