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CAS 51716-63-3 CIS-BICYCLO[3.3.0]OCTANE-3,7-DIONE molecular structure lightbox
CAS RN: 51716-63-3

CIS-BICYCLO[3.3.0]OCTANE-3,7-DIONE

  • Product code: SSC-158660
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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: 5g, 1g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 51716-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

51716-63-3 / 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione

Standard CAS: 51716-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51716-63-3
Multi CAS
Yes
Molecular Formula
C8H10O2
Molecular Weight
138.160000
Exact Mass
138.068080
InChI
InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
InChIKey
HAFQHNGZPQYKFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
35.46
TPSA
34.14

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
-0.4
Consensus LogP
0.45
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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