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CAS 885518-75-2 1H-Indazol-6-ol,4-broMo- molecular structure lightbox
CAS RN: 885518-75-2

1H-Indazol-6-ol,4-broMo-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS885518-75-2
  • Purity/Analytical Methods: >99.0%
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885518-75-2 / 4-bromo-1H-indazol-6-ol

Standard CAS: 885518-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885518-75-2
Multi CAS
No
Molecular Formula
BC7H5ORn2
Molecular Weight
213.030000
Exact Mass
211.958530
InChI
InChI=1S/C7H5BrN2O/c8-6-1-4(11)2-7-5(6)3-9-10-7/h1-3,11H,(H,9,10)
InChIKey
AIEDVJFAFWXQQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.46
TPSA
48.91

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.58

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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