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CAS 70780-84-6 1-Aminocyclobutane-1-carbonitrile molecular structure lightbox
CAS RN: 70780-84-6

1-Aminocyclobutane-1-carbonitrile

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250107 1g In stock Inquiry
Batchno.20260314 250mg In stock Inquiry
  • Product code: SSC-180505
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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: 5g
  • 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 70780-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

70780-84-6 / 1-aminocyclobutane-1-carbonitrile

Standard CAS: 70780-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70780-84-6
Multi CAS
No
Molecular Formula
C5H8N2
Molecular Weight
96.130000
Exact Mass
96.068748
InChI
InChI=1S/C5H8N2/c6-4-5(7)2-1-3-5/h1-3,7H2
InChIKey
GVUPCWCOWHNOHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.38
TPSA
49.81

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
-0.2
Consensus LogP
0.17
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.03

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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