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CAS 99620-40-3 2-methylidene-5,8-dioxaspiro[3.4]octane molecular structure lightbox
CAS RN: 99620-40-3

2-methylidene-5,8-dioxaspiro[3.4]octane

  • Product code: SSC-213280
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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 99620-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

99620-40-3 / 2-methylidene-5,8-dioxaspiro[3.4]octane

Standard CAS: 99620-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99620-40-3
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
InChI
InChI=1S/C7H10O2/c1-6-4-7(5-6)8-2-3-9-7/h1-5H2
InChIKey
BUGVIFWXQMWTSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
33.01
TPSA
18.46

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
0.4
Consensus LogP
0.81
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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