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CAS 473-62-1 [1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one molecular structure lightbox
CAS RN: 473-62-1

[1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

  • Product code: SSC-154200
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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: 5g
  • 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 473-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

473-62-1 / 2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

Standard CAS: 473-62-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
473-62-1
Multi CAS
Yes
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKey
MQPHVIPKLRXGDJ-UHFFFAOYSA-N

Physical Properties

Density
0.963-0.969
Physical Description
Colourless liquid; Cedar camphor aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.9
H-bond acceptors
1
Molar refractivity
44.17
TPSA
17.07

LogP / Solubility

WLOGP
2.26
MLOGP
1.98
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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