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CAS 29800-45-1 spiro[3.5]nonan-1-one molecular structure lightbox
CAS RN: 29800-45-1

spiro[3.5]nonan-1-one

  • Product code: SSC-132981
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 29800-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

29800-45-1 / spiro[3.5]nonan-3-one

Standard CAS: 29800-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29800-45-1
Multi CAS
No
Molecular Formula
C9H14O
Molecular Weight
138.210000
Exact Mass
138.104465
InChI
InChI=1S/C9H14O/c10-8-4-7-9(8)5-2-1-3-6-9/h1-7H2
InChIKey
VSVWEBBNJPKUNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.89
H-bond acceptors
1
Molar refractivity
39.76
TPSA
17.07

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-1.93

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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