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CAS 603-69-0 Ethyl Diacetoacetate molecular structure lightbox
CAS RN: 603-69-0

Ethyl Diacetoacetate

  • Product code: SSC-168869
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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: >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 603-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

603-69-0 / ethyl 2-acetyl-3-oxobutanoate

Standard CAS: 603-69-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
603-69-0
Multi CAS
Yes
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3
InChIKey
YMCDYRGMTRCAPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
41.49
TPSA
60.44

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.3
Consensus LogP
0.31
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.53

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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