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CAS 54464-57-2 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone molecular structure lightbox
CAS RN: 54464-57-2

1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251022 100g In stock Shanghai, Shandong Inquiry
Batchno.20260520 2.5kg Out of stock 8-10 business days Inquiry
Batchno.20250412 25g In stock Shanghai Inquiry
Batchno.20260118 500g In stock Shandong Inquiry
Batchno.20260218 5g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS54464-57-2
  • Purity/Analytical Methods: >99.0%
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54464-57-2 / 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone

Standard CAS: 54464-57-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
54464-57-2
Multi CAS
Yes
Molecular Formula
C16H26O
Molecular Weight
234.380000
Exact Mass
234.198365
InChI
InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
InChIKey
FVUGZKDGWGKCFE-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; Dry Powder, Liquid, Other Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.84
TPSA
17.07

LogP / Solubility

WLOGP
4.52
MLOGP
3.98
XLogP3
3.6
Consensus LogP
4.03
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

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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