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CAS 67751-14-8 ETHYL 4-(DIMETHYLAMINO)-2-OXOBUT-3-ENOATE molecular structure lightbox
CAS RN: 67751-14-8

ETHYL 4-(DIMETHYLAMINO)-2-OXOBUT-3-ENOATE

  • Product code: SSC-177499
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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, 5g
  • 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 67751-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

67751-14-8 / ethyl 4-(dimethylamino)-2-oxobut-3-enoate

Standard CAS: 67751-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67751-14-8
Multi CAS
Yes
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h5-6H,4H2,1-3H3
InChIKey
GTCBVGDJIQFBFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
44.47
TPSA
46.61

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.7
Consensus LogP
0.35
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
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)
-3.63

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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