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CAS 96426-60-7 Methyl 4-fluorocinnaMate molecular structure lightbox
CAS RN: 96426-60-7

Methyl 4-fluorocinnaMate

  • Product code: SSC-211993
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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 96426-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

96426-60-7 / methyl 3-(4-fluorophenyl)prop-2-enoate

Standard CAS: 96426-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96426-60-7
Multi CAS
Yes
Molecular Formula
C10FH9O2
Molecular Weight
180.170000
Exact Mass
180.058658
InChI
InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3
InChIKey
HSNCAEKOZRUMTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.45
TPSA
26.3

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.7
Consensus LogP
2.16
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.39

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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