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CAS 790646-47-8 4-(azetidin-3-yl)pyridine molecular structure lightbox
CAS RN: 790646-47-8

4-(azetidin-3-yl)pyridine

  • Product code: SSC-188276
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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: 0.1g, 0.25g, 1g
  • 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 790646-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

790646-47-8 / 4-(azetidin-3-yl)pyridine

Standard CAS: 790646-47-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
790646-47-8
Multi CAS
Yes
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
InChI
InChI=1S/C8H10N2/c1-3-9-4-2-7(1)8-5-10-6-8/h1-4,8,10H,5-6H2
InChIKey
NMTRJQSTTCLCTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.85
TPSA
24.92

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.2
Consensus LogP
0.55
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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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