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CAS 199172-01-5 6-BROMO-3-ETHYL-1H-INDAZOLE molecular structure lightbox
CAS RN: 199172-01-5

6-BROMO-3-ETHYL-1H-INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS199172-01-5
  • Purity/Analytical Methods: >99.0%
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199172-01-5 / 6-bromo-3-ethyl-2H-indazole

Standard CAS: 199172-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199172-01-5
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CCC1=C2C=CC(=CC2=NN1)Br
InChI
InChI=1S/C9H9BrN2/c1-2-8-7-4-3-6(10)5-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
InChIKey
XZRBYJWQQQBHLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.17
TPSA
28.68

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.04

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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