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CAS 109459-57-6 1,4-dioxaspiro[4.4]nonan-7-ol molecular structure lightbox
CAS RN: 109459-57-6

1,4-dioxaspiro[4.4]nonan-7-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-010834
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 109459-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

109459-57-6 / 1,4-dioxaspiro[4.4]nonan-8-ol

Methyl 5-oxohexanoate | Hexanoic acid, 5-oxo-, methyl ester | Methyl 4-acetylbutyrate

Standard CAS: 109459-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109459-57-6
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
SMILES
C1CC2(CC1O)OCCO2
InChI
InChI=1S/C7H12O3/c8-6-1-2-7(5-6)9-3-4-10-7/h6,8H,1-5H2
InChIKey
GIFUGOIZRIPGPS-UHFFFAOYSA-N
Synonyms
Methyl 5-oxohexanoate Hexanoic acid, 5-oxo-, methyl ester Methyl 4-acetylbutyrate 5-Oxohexanoic acid methyl ester EINECS 237-775-1

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.49
TPSA
38.69

LogP / Solubility

WLOGP
0.27
MLOGP
0.23
XLogP3
-0.1
Consensus LogP
0.13
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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