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CAS 98730-93-9 Methyl 2-cyclopropyl-2-hydroxyacetate molecular structure lightbox
CAS RN: 98730-93-9

Methyl 2-cyclopropyl-2-hydroxyacetate

  • Product code: SSC-212814
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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 98730-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

98730-93-9 / methyl 2-cyclopropyl-2-hydroxyacetate

Standard CAS: 98730-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98730-93-9
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
InChI
InChI=1S/C6H10O3/c1-9-6(8)5(7)4-2-3-4/h4-5,7H,2-3H2,1H3
InChIKey
GZILGVPTLJAVCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.75
TPSA
46.53

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
0.2
Consensus LogP
0.02
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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