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CAS 1123787-67-6 2-(Oxetan-3-ylidene)acetonitrile molecular structure lightbox
CAS RN: 1123787-67-6

2-(Oxetan-3-ylidene)acetonitrile

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260305 1g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251122 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260523 50mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251116 5g In stock Wuhan Inquiry
  • Product code: SSC-012819
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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: ≥97%
  • 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 1123787-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1123787-67-6 / 2-(oxetan-3-ylidene)acetonitrile

2-(3-Oxetanylidene)acetonitrile | RefChem:455853 | 663-674-0

Standard CAS: 1123787-67-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1123787-67-6
Multi CAS
No
Molecular Formula
C5H5NO
Molecular Weight
95.100000
Exact Mass
95.037114
SMILES
C1C(=CC#N)CO1
InChI
InChI=1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
InChIKey
DSKHBLMKLTZNRU-UHFFFAOYSA-N
Synonyms
2-(3-Oxetanylidene)acetonitrile RefChem:455853 663-674-0 2-(oxetan-3-ylidene)acetonitrile (OXETAN-3-YLIDENE)ACETONITRILE

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
24.51
TPSA
33.02

LogP / Solubility

WLOGP
0.47
MLOGP
0.4
XLogP3
-0.7
Consensus LogP
0.06
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-2.97

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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