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CAS 91891-74-6 5-Bromo-2-(2-thienyl)pyridine molecular structure lightbox
CAS RN: 91891-74-6

5-Bromo-2-(2-thienyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTB4885
  • Purity/Analytical Methods: >98.0%(GC)(T)
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91891-74-6 / 5-bromo-2-thiophen-2-ylpyridine

Standard CAS: 91891-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91891-74-6
Multi CAS
No
Molecular Formula
BC9H6RnS
Molecular Weight
240.120000
Exact Mass
238.940430
InChI
InChI=1S/C9H6BrNS/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H
InChIKey
POYKHSYCYNRTKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.25
TPSA
12.89

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.65

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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