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CAS 898568-39-3 2-broMo-6-phenylpyridin-3-aMine molecular structure lightbox
CAS RN: 898568-39-3

2-broMo-6-phenylpyridin-3-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS898568-39-3
  • Purity/Analytical Methods: >99.0%
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898568-39-3 / 2-bromo-6-phenylpyridin-3-amine

Standard CAS: 898568-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898568-39-3
Multi CAS
No
Molecular Formula
BC11H9Rn2
Molecular Weight
249.110000
Exact Mass
247.994910
InChI
InChI=1S/C11H9BrN2/c12-11-9(13)6-7-10(14-11)8-4-2-1-3-5-8/h1-7H,13H2
InChIKey
YNUZWTKCIKWJEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.79
TPSA
38.91

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
2.9
Consensus LogP
2.91
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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