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CAS 2141-62-0 3-Ethoxypropionitrile molecular structure lightbox
CAS RN: 2141-62-0

3-Ethoxypropionitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-102646
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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: 25g
  • 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 2141-62-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

2141-62-0 / 3-ethoxypropanenitrile

Standard CAS: 2141-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2141-62-0
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
SMILES
CCOCCC#N
InChI
InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3
InChIKey
DCWQZPJHHVLHSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
26.72
TPSA
33.02

LogP / Solubility

WLOGP
0.94
MLOGP
0.81
XLogP3
0.1
Consensus LogP
0.62
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.66

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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