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CAS 59939-11-6 Methyl 3-cyclopropylacrylate molecular structure lightbox
CAS RN: 59939-11-6

Methyl 3-cyclopropylacrylate

  • Product code: SSC-168513
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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 59939-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

59939-11-6 / methyl (E)-3-cyclopropylprop-2-enoate

Standard CAS: 59939-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59939-11-6
Multi CAS
Yes
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
InChI
InChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h4-6H,2-3H2,1H3/b5-4+
InChIKey
IPOOZKZLEDMDSB-SNAWJCMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.88
TPSA
26.3

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
1.5
Consensus LogP
1.2
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.69

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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