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CAS 19540-05-7 1-Azabicyclo[1.1.0]butane molecular structure lightbox
CAS RN: 19540-05-7

1-Azabicyclo[1.1.0]butane

  • Product code: SSC-092167
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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: 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 19540-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19540-05-7 / 1-azabicyclo[1.1.0]butane

Standard CAS: 19540-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19540-05-7
Multi CAS
No
Molecular Formula
C3H5N
Molecular Weight
55.080000
Exact Mass
55.042199
SMILES
C1C2N1C2
InChI
InChI=1S/C3H5N/c1-3-2-4(1)3/h3H,1-2H2
InChIKey
AVORXWIYCOTNFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
15.36
TPSA
3.01

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.3
XLogP3
-0.1
Consensus LogP
-0.24
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
Class (SILICOS-IT)
Highly 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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

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