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CAS 83406-40-0 decahydronaphthalene-1,8-dione molecular structure lightbox
CAS RN: 83406-40-0

decahydronaphthalene-1,8-dione

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260319 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260312 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251106 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS83406-40-0
  • Purity/Analytical Methods: >99.0%
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83406-40-0 / 2,3,4,4a,5,6,7,8a-octahydronaphthalene-1,8-dione

Standard CAS: 83406-40-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83406-40-0
Multi CAS
Yes
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
InChI
InChI=1S/C10H14O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h7,10H,1-6H2
InChIKey
MCGBZBIVNKGHNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
44.7
TPSA
34.14

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.51

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
1.5

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