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CAS 1000340-65-7 4-FLUORO-7-METHYL-3-(1H)INDAZOLECARBOXYLIC ACID molecular structure lightbox
CAS RN: 1000340-65-7

4-FLUORO-7-METHYL-3-(1H)INDAZOLECARBOXYLIC ACID

  • Product code: SSC-000114
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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 1000340-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1000340-65-7 / 4-fluoro-7-methyl-2H-indazole-3-carboxylic acid

4-Fluoro-7-methyl-1H-indazole-3-carboxylic acid | 1000340-65-7 | 4-fluoro-7-methyl-2H-indazole-3-carboxylic acid

Standard CAS: 1000340-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000340-65-7
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
CC1=CC=C(C2=C(NN=C12)C(=O)O)F
InChI
InChI=1S/C9H7FN2O2/c1-4-2-3-5(10)6-7(4)11-12-8(6)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKey
WXSDTPHSEMQJDO-UHFFFAOYSA-N
Synonyms
4-Fluoro-7-methyl-1H-indazole-3-carboxylic acid 1000340-65-7 4-fluoro-7-methyl-2H-indazole-3-carboxylic acid 1H-Indazole-3-carboxylic acid, 4-fluoro-7-methyl- DTXSID001244944

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.75
TPSA
65.98

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.69

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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