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CAS 845751-59-9 7-BroMo-2H-indazole molecular structure lightbox
CAS RN: 845751-59-9

7-BroMo-2H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 250mg / 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS845751-59-9
  • Purity/Analytical Methods: >99.0%
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845751-59-9 / 7-bromo-1H-indazole

Standard CAS: 845751-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845751-59-9
Multi CAS
No
Molecular Formula
BC7H5Rn2
Molecular Weight
197.030000
Exact Mass
195.963610
InChI
InChI=1S/C7H5BrN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChIKey
KMHHWCPTROQUFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.79
TPSA
28.68

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.27

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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