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CAS 1243438-23-4 5-bromo-4-cyclopropoxypyridin-2-amine molecular structure lightbox
CAS RN: 1243438-23-4

5-bromo-4-cyclopropoxypyridin-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1243438-23-4
  • Purity/Analytical Methods: >99.0%
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1243438-23-4 / 5-bromo-4-cyclopropyloxypyridin-2-amine

Standard CAS: 1243438-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243438-23-4
Multi CAS
No
Molecular Formula
C8H9BrN2O
Molecular Weight
229.070000
Exact Mass
227.989830
SMILES
C1CC1OC2=CC(=NC=C2Br)N
InChI
InChI=1S/C8H9BrN2O/c9-6-4-11-8(10)3-7(6)12-5-1-2-5/h3-5H,1-2H2,(H2,10,11)
InChIKey
MRBKHNNJMDNENM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50
TPSA
48.14

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.8
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.72

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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