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CAS 280568-01-6 Spiro[2.5]octane-4,6-dione molecular structure lightbox
CAS RN: 280568-01-6

Spiro[2.5]octane-4,6-dione

  • Product code: SSC-128708
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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, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 280568-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

280568-01-6 / spiro[2.5]octane-6,8-dione

Standard CAS: 280568-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
280568-01-6
Multi CAS
No
Molecular Formula
C8H10O2
Molecular Weight
138.160000
Exact Mass
138.068080
InChI
InChI=1S/C8H10O2/c9-6-1-2-8(3-4-8)7(10)5-6/h1-5H2
InChIKey
XVSNPBIXAFEBRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
35.53
TPSA
34.14

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.3
Consensus LogP
0.78
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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