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CAS 15937-81-2 Pyridine,2,2′-(1,3-propanediyl)bis- molecular structure lightbox
CAS RN: 15937-81-2

Pyridine,2,2′-(1,3-propanediyl)bis-

  • Product code: SSC-067359
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15937-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

15937-81-2 / 2-(3-pyridin-2-ylpropyl)pyridine

Standard CAS: 15937-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15937-81-2
Multi CAS
No
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
SMILES
C1=CC=NC(=C1)CCCC2=CC=CC=N2
InChI
InChI=1S/C13H14N2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h1-4,6-7,10-11H,5,8-9H2
InChIKey
UHPWYBATPHCMGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
60.5
TPSA
25.78

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.05

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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