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CAS 189509-22-6 Ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate molecular structure lightbox
CAS RN: 189509-22-6

Ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-088633
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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 189509-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

189509-22-6 / ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

Standard CAS: 189509-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189509-22-6
Multi CAS
No
Molecular Formula
C12H20O5
Molecular Weight
244.280000
Exact Mass
244.131074
SMILES
CCOC(=O)CC1(CCC2(CC1)OCCO2)O
InChI
InChI=1S/C12H20O5/c1-2-15-10(13)9-11(14)3-5-12(6-4-11)16-7-8-17-12/h14H,2-9H2,1H3
InChIKey
WHKXSXPMLULVEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.3
TPSA
64.99

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.51

Drug-likeness / Medicinal Chemistry

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

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