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CAS 23153-74-4 (1,4-DIOXA-SPIRO[4.4]NON-6-YL)-METHANOL molecular structure lightbox
CAS RN: 23153-74-4

(1,4-DIOXA-SPIRO[4.4]NON-6-YL)-METHANOL

  • Product code: SSC-112677
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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 23153-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

23153-74-4 / 1,4-dioxaspiro[4.4]nonan-9-ylmethanol

Standard CAS: 23153-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23153-74-4
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
C1CC(C2(C1)OCCO2)CO
InChI
InChI=1S/C8H14O3/c9-6-7-2-1-3-8(7)10-4-5-11-8/h7,9H,1-6H2
InChIKey
QKBNMPDZDDIKRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.06
TPSA
38.69

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.1
Consensus LogP
0.36
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.31

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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