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CAS 545882-60-8 5,8-Dioxaspiro[3.4]octane-2-Methanol molecular structure lightbox
CAS RN: 545882-60-8

5,8-Dioxaspiro[3.4]octane-2-Methanol

  • Product code: SSC-162308
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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: ＞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 545882-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

545882-60-8 / 5,8-dioxaspiro[3.4]octan-2-ylmethanol

Standard CAS: 545882-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
545882-60-8
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c8-5-6-3-7(4-6)9-1-2-10-7/h6,8H,1-5H2
InChIKey
LJVOOONKTBAYNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.44
TPSA
38.69

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.3
Consensus LogP
-0.02
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.51

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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