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CAS 1159511-92-8 6-Bromo-2,5-dimethyl-2H-indazole molecular structure lightbox
CAS RN: 1159511-92-8

6-Bromo-2,5-dimethyl-2H-indazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250114 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1159511-92-8
  • Purity/Analytical Methods: >99.0%
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1159511-92-8 / 6-bromo-2,5-dimethylindazole

6-Bromo-2,5-dimethyl-2H-indazole | 6-bromo-2,5-dimethylindazole | MFCD12028639

Standard CAS: 1159511-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159511-92-8
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=CC2=CN(N=C2C=C1Br)C
InChI
InChI=1S/C9H9BrN2/c1-6-3-7-5-12(2)11-9(7)4-8(6)10/h3-5H,1-2H3
InChIKey
IWQKNWIRYSQPQG-UHFFFAOYSA-N
Synonyms
6-Bromo-2,5-dimethyl-2H-indazole 6-bromo-2,5-dimethylindazole MFCD12028639 2H-Indazole, 6-bromo-2,5-dimethyl- SCHEMBL724583

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
53.15
TPSA
17.82

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

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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