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CAS 59717-96-3 5-bromo-2-phenoxypyridine molecular structure lightbox
CAS RN: 59717-96-3

5-bromo-2-phenoxypyridine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 1g In stock Inquiry
Batchno.20260225 250mg In stock Inquiry
Batchno.20260308 25g In stock Inquiry
Batchno.20250531 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS59717-96-3
  • Purity/Analytical Methods: >99.0%
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59717-96-3 / 5-bromo-2-phenoxypyridine

Standard CAS: 59717-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59717-96-3
Multi CAS
No
Molecular Formula
BC11H8ORn
Molecular Weight
250.090000
Exact Mass
248.978930
InChI
InChI=1S/C11H8BrNO/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
InChIKey
ZHIHQFMWBOTCQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.45
TPSA
22.12

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.1
Consensus LogP
3.32
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-1.66

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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