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CAS 634-55-9 ETHYL 2-CYANOACETOACETATE molecular structure lightbox
CAS RN: 634-55-9

ETHYL 2-CYANOACETOACETATE

  • Product code: SSC-173055
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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: 5g
  • 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 634-55-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

634-55-9 / ethyl 2-cyano-3-oxobutanoate

Standard CAS: 634-55-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
634-55-9
Multi CAS
Yes
Molecular Formula
C7H9NO3
Molecular Weight
155.150000
Exact Mass
155.058243
InChI
InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChIKey
NWOKVFOTWMZMHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
36.42
TPSA
67.16

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
0.3
Consensus LogP
0.27
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.47

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
2

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