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CAS 1262411-38-0 3-(1,4-Dioxaspiro[4.5]decan-8-yl)propionic Acid molecular structure lightbox
CAS RN: 1262411-38-0

3-(1,4-Dioxaspiro[4.5]decan-8-yl)propionic Acid

  • Product code: SSC-033136
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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: 0.25g
  • 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 1262411-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1262411-38-0 / 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanoic acid

Standard CAS: 1262411-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262411-38-0
Multi CAS
No
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
SMILES
C1CC2(CCC1CCC(=O)O)OCCO2
InChI
InChI=1S/C11H18O4/c12-10(13)2-1-9-3-5-11(6-4-9)14-7-8-15-11/h9H,1-8H2,(H,12,13)
InChIKey
QNDPJPULQTYCSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.46
TPSA
55.76

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1
Consensus LogP
1.45
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.76

Drug-likeness / Medicinal Chemistry

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

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