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CAS 954-16-5 2,4,6-Trimethylbenzophenone molecular structure lightbox
CAS RN: 954-16-5

2,4,6-Trimethylbenzophenone

  • Product code: SSC-210763
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 500g, 5g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 954-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry
500g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

954-16-5 / phenyl-(2,4,6-trimethylphenyl)methanone

Standard CAS: 954-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
954-16-5
Multi CAS
Yes
Molecular Formula
C16H16O
Molecular Weight
224.300000
Exact Mass
224.120115
InChI
InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
HPAFOABSQZMTHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
70.53
TPSA
17.07

LogP / Solubility

WLOGP
3.84
MLOGP
3.38
XLogP3
4.4
Consensus LogP
3.87
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

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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