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CAS 1427430-82-7 4-chloro-7-methyl-1H-indazole molecular structure lightbox
CAS RN: 1427430-82-7

4-chloro-7-methyl-1H-indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1427430-82-7
  • Purity/Analytical Methods: >99.0%
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1427430-82-7 / 4-chloro-7-methyl-1H-indazole

Standard CAS: 1427430-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427430-82-7
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
CC1=C2C(=C(C=C1)Cl)C=NN2
InChI
InChI=1S/C8H7ClN2/c1-5-2-3-7(9)6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11)
InChIKey
KKQGRCQZEJUHAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.84
TPSA
28.68

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.94

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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