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CAS 13368-65-5 (+)-3-METHYLCYCLOHEXANONE molecular structure lightbox
CAS RN: 13368-65-5

(+)-3-METHYLCYCLOHEXANONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-040585
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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 13368-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

13368-65-5 / (3R)-3-methylcyclohexan-1-one

Standard CAS: 13368-65-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13368-65-5
Multi CAS
No
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
SMILES
C[C@@H]1CCCC(=O)C1
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey
UJBOOUHRTQVGRU-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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