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CAS 344248-71-1 Cyclopropanecarboxylic acid, 1-hydroxy-2-methyl-, ethyl ester (9CI) molecular structure lightbox
CAS RN: 344248-71-1

Cyclopropanecarboxylic acid, 1-hydroxy-2-methyl-, ethyl ester (9CI)

  • Product code: SSC-140859
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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 344248-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

344248-71-1 / ethyl 1-hydroxy-2-methylcyclopropane-1-carboxylate

Standard CAS: 344248-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344248-71-1
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-3-10-6(8)7(9)4-5(7)2/h5,9H,3-4H2,1-2H3
InChIKey
CIQKUIOKSROIBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.36
TPSA
46.53

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.6
Consensus LogP
0.4
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
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)
-3.37

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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