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CAS 133841-11-9 7-Hydroxy-1-Methyl-1H-indazole-3-carboxylic Acid molecular structure lightbox
CAS RN: 133841-11-9

7-Hydroxy-1-Methyl-1H-indazole-3-carboxylic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS133841-11-9
  • Purity/Analytical Methods: >99.0%
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133841-11-9 / 7-hydroxy-1-methylindazole-3-carboxylic acid

Standard CAS: 133841-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133841-11-9
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
CN1C2=C(C=CC=C2O)C(=N1)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-11-8-5(3-2-4-6(8)12)7(10-11)9(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
IJFHHCNBYDCMBJ-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
4
H-bond donors
2
Molar refractivity
49.34
TPSA
75.35

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
1.1
Consensus LogP
0.98
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.2

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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