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CAS 70909-45-4 ethyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate molecular structure lightbox
CAS RN: 70909-45-4

ethyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate

  • Product code: SSC-180607
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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: ≥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 70909-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

70909-45-4 / ethyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate

Standard CAS: 70909-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70909-45-4
Multi CAS
No
Molecular Formula
C14H16O6
Molecular Weight
280.270000
Exact Mass
280.094688
InChI
InChI=1S/C14H16O6/c1-4-20-14(17)12(16)8-11(15)10-7-9(18-2)5-6-13(10)19-3/h5-7H,4,8H2,1-3H3
InChIKey
VWHYEJMKONYLLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
70.13
TPSA
78.9

LogP / Solubility

WLOGP
1.41
MLOGP
1.25
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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