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CAS 6136-71-6 3′-TERT-BUTYLACETOPHENONE molecular structure lightbox
CAS RN: 6136-71-6

3′-TERT-BUTYLACETOPHENONE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260501 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250629 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250106 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20251019 5g In stock Shanghai Inquiry
  • Product code: SSC-170205
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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: ＞97%
  • 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 6136-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

6136-71-6 / 1-(3-tert-butylphenyl)ethanone

Standard CAS: 6136-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6136-71-6
Multi CAS
No
Molecular Formula
C12H16O
Molecular Weight
176.250000
Exact Mass
176.120115
InChI
InChI=1S/C12H16O/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-8H,1-4H3
InChIKey
TVEGMYYTIFLVAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.15
TPSA
17.07

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-1.53

Drug-likeness / Medicinal Chemistry

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

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