CAS RN: 364794-78-5

5-BROMO-2-PIPERIDIN-1-YLMETHYL-PYRIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS364794-78-5
  • Purity/Analytical Methods: >99.0%
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364794-78-5 / 5-bromo-2-(piperidin-1-ylmethyl)pyridine

Standard CAS: 364794-78-5 Multi CAS: No

Basic Information

CAS
364794-78-5
Multi CAS
No
Molecular Formula
BC11H15Rn2
Molecular Weight
255.150000
Exact Mass
254.041860
InChI
InChI=1S/C11H15BrN2/c12-10-4-5-11(13-8-10)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKey
UQPUOJGAYLZKMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.07
TPSA
16.13

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

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