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CAS 271-42-1 2H-Indazole molecular structure lightbox
CAS RN: 271-42-1

2H-Indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS271-42-1
  • Purity/Analytical Methods: >99.0%
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271-42-1 / 1H-indazole

Standard CAS: 271-42-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
271-42-1
Multi CAS
No
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
SMILES
C1=CC=C2C(=C1)C=NN2
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
InChIKey
BAXOFTOLAUCFNW-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.09
TPSA
28.68

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.33

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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