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CAS 20913-25-1 ETHYL 2-METHYLCYCLOPROPANE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 20913-25-1

ETHYL 2-METHYLCYCLOPROPANE-1-CARBOXYLATE

  • Product code: SSC-098702
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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 20913-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

20913-25-1 / ethyl 2-methylcyclopropane-1-carboxylate

Standard CAS: 20913-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20913-25-1
Multi CAS
No
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
CCOC(=O)C1CC1C
InChI
InChI=1S/C7H12O2/c1-3-9-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3
InChIKey
JWYSLVLBKXDZCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.9
TPSA
26.3

LogP / Solubility

WLOGP
1.21
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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