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CAS 952109-91-0 5-bromopyridin-3,4,6-d3-2-amine molecular structure lightbox
CAS RN: 952109-91-0

5-bromopyridin-3,4,6-d3-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 20mg Out of stock 5-7 business days Inquiry
  • Product code: LINB889831
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952109-91-0 / 5-bromo-3,4,6-trideuteriopyridin-2-amine

Standard CAS: 952109-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
952109-91-0
Multi CAS
No
Molecular Formula
BC5H5Rn2
Molecular Weight
176.030000
Exact Mass
174.982440
InChI
InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)/i1D,2D,3D
InChIKey
WGOLHUGPTDEKCF-CBYSEHNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.35
TPSA
38.91

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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