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CAS 487-19-4 B-NICOTYRINE molecular structure lightbox
CAS RN: 487-19-4

B-NICOTYRINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 100mg In stock Shanghai, Hebei Inquiry
Batchno.20250114 25mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250528 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS487-19-4
  • Purity/Analytical Methods: >99.0%
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487-19-4 / 3-(1-methylpyrrol-2-yl)pyridine

Standard CAS: 487-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
487-19-4
Multi CAS
Yes
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
InChI
InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
InChIKey
RYFOJXFXERAMLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.64
TPSA
17.82

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
1.3
Consensus LogP
1.74
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

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

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