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CAS 27567-85-7 2,3,3a,5,6,7a-Hexahydro-2,5-methano-1H-inden-7(4H)-one molecular structure lightbox
CAS RN: 27567-85-7

2,3,3a,5,6,7a-Hexahydro-2,5-methano-1H-inden-7(4H)-one

  • Product code: SSC-127185
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27567-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27567-85-7 / tricyclo[4.3.1.03,8]decan-4-one

Standard CAS: 27567-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27567-85-7
Multi CAS
No
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
C1C2CC3CC1CC(=O)C3C2
InChI
InChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2
InChIKey
BYLLPDFBHUIPKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.9
H-bond acceptors
1
Molar refractivity
42.05
TPSA
17.07

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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