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CAS 60869-95-6 3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole molecular structure lightbox
CAS RN: 60869-95-6

3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS60869-95-6
  • Purity/Analytical Methods: >99.0%
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60869-95-6 / 3-bromo-1-(oxan-2-yl)indazole

Standard CAS: 60869-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60869-95-6
Multi CAS
No
Molecular Formula
BC12H13ORn2
Molecular Weight
281.150000
Exact Mass
280.021130
InChI
InChI=1S/C12H13BrN2O/c13-12-9-5-1-2-6-10(9)15(14-12)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2
InChIKey
QWLOLRJEKXVXBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.27
TPSA
27.05

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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