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CAS 3274-12-2 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dienone molecular structure lightbox
CAS RN: 3274-12-2

4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dienone

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100g In stock Shanghai Inquiry
Batchno.20260305 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251107 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20250811 500g Out of stock Inquiry
  • Product code: SSC-138437
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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 3274-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

3274-12-2 / 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

Standard CAS: 3274-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3274-12-2
Multi CAS
No
Molecular Formula
C8H7CL3O
Molecular Weight
225.500000
Exact Mass
223.956248
InChI
InChI=1S/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
InChIKey
RCHALGLCCGJUAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.38
H-bond acceptors
1
Molar refractivity
51.68
TPSA
17.07

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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