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CAS 92007-37-9 5,5-Dimethyl-hexahydro-1’H-spiro[1,3-dioxane-2,2′-pentalene]-5′-one molecular structure lightbox
CAS RN: 92007-37-9

5,5-Dimethyl-hexahydro-1’H-spiro[1,3-dioxane-2,2′-pentalene]-5′-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 500mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-205572
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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 92007-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

92007-37-9 / (3aS,6aR)-5',5'-dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-2-one

Standard CAS: 92007-37-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92007-37-9
Multi CAS
Yes
Molecular Formula
C13H20O3
Molecular Weight
224.300000
Exact Mass
224.141245
InChI
InChI=1S/C13H20O3/c1-12(2)7-15-13(16-8-12)5-9-3-11(14)4-10(9)6-13/h9-10H,3-8H2,1-2H3
InChIKey
DPGJBUWFVDJWGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
H-bond acceptors
3
Molar refractivity
58.87
TPSA
35.53

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.3
Consensus LogP
1.78
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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