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CAS 1556131-93-1 3-Chloro-1H-indazole-7-carboxylic acid molecular structure lightbox
CAS RN: 1556131-93-1

3-Chloro-1H-indazole-7-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1556131-93-1
  • Purity/Analytical Methods: >99.0%
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1556131-93-1 / 3-chloro-2H-indazole-7-carboxylic acid

Standard CAS: 1556131-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1556131-93-1
Multi CAS
No
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CC2=C(NN=C2C(=C1)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
AHXDZMSQYSBKBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.06
TPSA
65.98

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.56

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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