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CAS 150239-89-7 2,2′-(5-broMo-1,3-phenylene)dipyridine molecular structure lightbox
CAS RN: 150239-89-7

2,2′-(5-broMo-1,3-phenylene)dipyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS150239-89-7
  • Purity/Analytical Methods: >99.0%
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150239-89-7 / 2-(3-bromo-5-pyridin-2-ylphenyl)pyridine

Standard CAS: 150239-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150239-89-7
Multi CAS
No
Molecular Formula
C16H11BrN2
Molecular Weight
311.180000
Exact Mass
310.010560
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=N3
InChI
InChI=1S/C16H11BrN2/c17-14-10-12(15-5-1-3-7-18-15)9-13(11-14)16-6-2-4-8-19-16/h1-11H
InChIKey
WYBQKTWLOQGECX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
80.6
TPSA
25.78

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
3.8
Consensus LogP
4.14
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

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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