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CAS 22515-30-6 Methyl 4-(Trimethylsilyl)benzoate molecular structure lightbox
CAS RN: 22515-30-6

Methyl 4-(Trimethylsilyl)benzoate

  • Product code: SSC-110097
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 22515-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

22515-30-6 / methyl 4-trimethylsilylbenzoate

Standard CAS: 22515-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22515-30-6
Multi CAS
No
Molecular Formula
C11H16O2Si
Molecular Weight
208.330000
Exact Mass
208.091956
SMILES
COC(=O)C1=CC=C(C=C1)[Si](C)(C)C
InChI
InChI=1S/C11H16O2Si/c1-13-11(12)9-5-7-10(8-6-9)14(2,3)4/h5-8H,1-4H3
InChIKey
AYLOVBNEYSUPQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.76
TPSA
26.3

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.56

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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