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CAS 124499-37-2 1,4-DIOXASPIRO[4.5]DECANE-8-ACETONITRILE molecular structure lightbox
CAS RN: 124499-37-2

1,4-DIOXASPIRO[4.5]DECANE-8-ACETONITRILE

  • Product code: SSC-028377
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 10g, 25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 124499-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
10g ≥95% 3 In Stock Hong Kong Inquiry
25g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

124499-37-2 / 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetonitrile

Standard CAS: 124499-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124499-37-2
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
C1CC2(CCC1CC#N)OCCO2
InChI
InChI=1S/C10H15NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-5,7-8H2
InChIKey
BLIRGGYUBXDIHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.82
TPSA
42.25

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
0.8
Consensus LogP
1.41
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.52

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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