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CAS 18309-28-9 (2S-cis)-2-(isopropyl)-5-methylcyclohexan-1-one molecular structure lightbox
CAS RN: 18309-28-9

(2S-cis)-2-(isopropyl)-5-methylcyclohexan-1-one

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260514 100mg Out of stock Inquiry
Batchno.20250718 1g Out of stock Inquiry
Batchno.20251212 250mg Out of stock Inquiry
Batchno.20250412 50mg Out of stock Inquiry
  • Product code: SSC-084705
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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 18309-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

18309-28-9 / cis-(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one

Standard CAS: 18309-28-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18309-28-9
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
C[C@H]1CC[C@H](C(=O)C1)C(C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKey
NFLGAXVYCFJBMK-IUCAKERBSA-N

Physical Properties

Boiling Point
205.00 to 208.00 °C. @ 760.00 mm Hg
Density
0.895-0.925
Physical Description
colourless slightly oily liquid with a peppermint odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.35
TPSA
17.07

LogP / Solubility

WLOGP
2.65
MLOGP
2.32
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Flammable
Signal
Warning
GHS Hazard Statements
H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (88.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H226 (19.2%): Flammable liquid and vapor [Warning Flammable liquids] H315 (25.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (25.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, and P501 P264, P280, P302+P352, P321, P332+P317, and P362+P364

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