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CAS 697739-07-4 1H-Indazole-4-carboxylic acid, 6-fluoro-1-methyl- molecular structure lightbox
CAS RN: 697739-07-4

1H-Indazole-4-carboxylic acid, 6-fluoro-1-methyl-

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Batchno.20251105 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS697739-07-4
  • Purity/Analytical Methods: >99.0%
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697739-07-4 / 6-fluoro-1-methylindazole-4-carboxylic acid

Standard CAS: 697739-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
697739-07-4
Multi CAS
No
Molecular Formula
C9FH7N2O2
Molecular Weight
194.160000
Exact Mass
194.049156
InChI
InChI=1S/C9H7FN2O2/c1-12-8-3-5(10)2-6(9(13)14)7(8)4-11-12/h2-4H,1H3,(H,13,14)
InChIKey
OKPNNCCYWIRQFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.63
TPSA
55.12

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.9

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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