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CAS 25694-89-7 (Isocyanatomethyl)cyclopropane molecular structure lightbox
CAS RN: 25694-89-7

(Isocyanatomethyl)cyclopropane

  • Product code: SSC-122130
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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 25694-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25694-89-7 / isocyanatomethylcyclopropane

Standard CAS: 25694-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25694-89-7
Multi CAS
No
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
InChI
InChI=1S/C5H7NO/c7-4-6-3-5-1-2-5/h5H,1-3H2
InChIKey
GVCHRKKMNKWGDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
25.71
TPSA
29.43

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
1.7
Consensus LogP
1.02
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-2.79

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
1.5

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