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CAS 89-81-6 Piperitone (mixture of enantiomers, predominantly (R)-(-)-form) molecular structure lightbox
CAS RN: 89-81-6

Piperitone (mixture of enantiomers, predominantly (R)-(-)-form)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 1ml In stock Guangdong Inquiry
Batchno.20260121 25ml In stock Shanghai, Shandong Inquiry
Batchno.20260225 5ml In stock Shandong, Chongqing Inquiry
  • Product code: SSC-200812
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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: 25g
  • 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 89-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

89-81-6 / 3-methyl-6-propan-2-ylcyclohex-2-en-1-one

Standard CAS: 89-81-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
89-81-6
Multi CAS
Yes
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
InChIKey
YSTPAHQEHQSRJD-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Boiling Point
233.00 to 235.00 °C. @ 760.00 mm Hg
Density
0.929-0.934
Physical Description
Solid clear, light yellowish to yellow liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.33
TPSA
17.07

LogP / Solubility

WLOGP
2.57
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

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