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CAS 1638764-61-0 5-CHLORO-1H-INDAZOL-4-OL molecular structure lightbox
CAS RN: 1638764-61-0

5-CHLORO-1H-INDAZOL-4-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1638764-61-0
  • Purity/Analytical Methods: >99.0%
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1638764-61-0 / 5-chloro-1H-indazol-4-ol

Standard CAS: 1638764-61-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638764-61-0
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
C1=CC(=C(C2=C1NN=C2)O)Cl
InChI
InChI=1S/C7H5ClN2O/c8-5-1-2-6-4(7(5)11)3-9-10-6/h1-3,11H,(H,9,10)
InChIKey
JINUXEUHYRINQN-UHFFFAOYSA-N

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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