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CAS 885266-96-6 2-(Cyclopropylamino)-5-bromopyridine molecular structure lightbox
CAS RN: 885266-96-6

2-(Cyclopropylamino)-5-bromopyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885266-96-6
  • Purity/Analytical Methods: >99.0%
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885266-96-6 / 5-bromo-N-cyclopropylpyridin-2-amine

Standard CAS: 885266-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885266-96-6
Multi CAS
Yes
Molecular Formula
BC8H9Rn2
Molecular Weight
213.070000
Exact Mass
211.994910
InChI
InChI=1S/C8H9BrN2/c9-6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,11)
InChIKey
ITKZPCOJFUVIQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.58
TPSA
24.92

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.3

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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