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CAS 37746-82-0 (2E)-4,4-Difluoro-2-butenoic acid ethyl ester molecular structure lightbox
CAS RN: 37746-82-0

(2E)-4,4-Difluoro-2-butenoic acid ethyl ester

  • Product code: SSC-145181
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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 37746-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

37746-82-0 / ethyl (E)-4,4-difluorobut-2-enoate

Standard CAS: 37746-82-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37746-82-0
Multi CAS
Yes
Molecular Formula
C6F2H8O2
Molecular Weight
150.120000
Exact Mass
150.049236
InChI
InChI=1S/C6H8F2O2/c1-2-10-6(9)4-3-5(7)8/h3-5H,2H2,1H3/b4-3+
InChIKey
WACKTOQGRVMXIO-ONEGZZNKSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.78
TPSA
26.3

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.66

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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