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CAS 850429-50-4 (TETRAHYDRO-PYRAN-4-YL)-ACETONITRILE molecular structure lightbox
CAS RN: 850429-50-4

(TETRAHYDRO-PYRAN-4-YL)-ACETONITRILE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 10g Out of stock Inquiry
Batchno.20251217 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250423 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260513 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-192961
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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 850429-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

850429-50-4 / 2-(oxan-4-yl)acetonitrile

Standard CAS: 850429-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850429-50-4
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-3,5-6H2
InChIKey
IOWDVKYQRLPOLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.77
TPSA
33.02

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
0.5
Consensus LogP
1
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.54

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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