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CAS 109459-59-8 3-keto cyclopentanone acetal molecular structure lightbox
CAS RN: 109459-59-8

3-keto cyclopentanone acetal

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-010835
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 109459-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

109459-59-8 / 1,4-dioxaspiro[4.4]nonan-8-one

1,4-Dioxaspiro[4.4]nonan-7-one | 3-keto cyclopentanone acetal | 1,4-Dioxaspiro[4.4]nonan-8-one

Standard CAS: 109459-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109459-59-8
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
C1CC2(CC1=O)OCCO2
InChI
InChI=1S/C7H10O3/c8-6-1-2-7(5-6)9-3-4-10-7/h1-5H2
InChIKey
CAJRFMICEAJKGW-UHFFFAOYSA-N
Synonyms
1,4-Dioxaspiro[4.4]nonan-7-one 3-keto cyclopentanone acetal 1,4-Dioxaspiro[4.4]nonan-8-one MFCD24705466 SCHEMBL4424067

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
3
Molar refractivity
33.49
TPSA
35.53

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
-0.5
Consensus LogP
0.13
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.24

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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