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CAS 1363380-68-0 2-Methyl-2H-indazole-7-sulfonyl chloride molecular structure lightbox
CAS RN: 1363380-68-0

2-Methyl-2H-indazole-7-sulfonyl chloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1363380-68-0
  • Purity/Analytical Methods: >99.0%
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1363380-68-0 / 2-methylindazole-7-sulfonyl chloride

Standard CAS: 1363380-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-68-0
Multi CAS
No
Molecular Formula
C8H7ClN2O2S
Molecular Weight
230.670000
Exact Mass
229.991676
SMILES
CN1C=C2C=CC=C(C2=N1)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O2S/c1-11-5-6-3-2-4-7(8(6)10-11)14(9,12)13/h2-5H,1H3
InChIKey
OKGUGXQXIHUXDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.75
TPSA
51.96

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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