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CAS 116570-38-8 5-Chloro-6-hydroxy(1H)indazole molecular structure lightbox
CAS RN: 116570-38-8

5-Chloro-6-hydroxy(1H)indazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS116570-38-8
  • Purity/Analytical Methods: >99.0%
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116570-38-8 / 5-chloro-1H-indazol-6-ol

5-CHLORO-1H-INDAZOL-6-OL | 1H-Indazol-6-ol, 5-chloro- | SCHEMBL23219864

Standard CAS: 116570-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116570-38-8
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
C1=C2C=NNC2=CC(=C1Cl)O
InChI
InChI=1S/C7H5ClN2O/c8-5-1-4-3-9-10-6(4)2-7(5)11/h1-3,11H,(H,9,10)
InChIKey
XPYRZGAZFOETTF-UHFFFAOYSA-N
Synonyms
5-CHLORO-1H-INDAZOL-6-OL 1H-Indazol-6-ol, 5-chloro- SCHEMBL23219864 MB15043

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.77
TPSA
48.91

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.38

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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