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CAS 61310-53-0 3-Ethoxyacrylonitrile (cis- and trans- mixture) molecular structure lightbox
CAS RN: 61310-53-0

3-Ethoxyacrylonitrile (cis- and trans- mixture)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 5ml / 25ml / 100ml Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-170141
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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: 100g
  • 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 61310-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

61310-53-0 / 3-ethoxyprop-2-enenitrile

Standard CAS: 61310-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61310-53-0
Multi CAS
Yes
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
InChI
InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3
InChIKey
HUPVIAINOSTNBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
26.38
TPSA
33.02

LogP / Solubility

WLOGP
1.06
MLOGP
0.92
XLogP3
0.6
Consensus LogP
0.86
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-2.56

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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