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CAS 1007587-63-4 Benzenemethanol, 3-[2-(trimethylsilyl)ethynyl]- molecular structure lightbox
CAS RN: 1007587-63-4

Benzenemethanol, 3-[2-(trimethylsilyl)ethynyl]-

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg In stock Shanghai Inquiry
Batchno.20250125 1g Out of stock Inquiry
Batchno.20250408 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-001487
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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, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1007587-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 5 In Stock Shanghai Inquiry

1007587-63-4 / [3-(2-trimethylsilylethynyl)phenyl]methanol

(3-((Trimethylsilyl)ethynyl)phenyl)methanol | MFCD30537097 | 3-[(Trimethylsilyl)ethynyl]benzyl Alcohol

Standard CAS: 1007587-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1007587-63-4
Multi CAS
No
Molecular Formula
C12H16OSi
Molecular Weight
204.340000
Exact Mass
204.097042
SMILES
C[Si](C)(C)C#CC1=CC=CC(=C1)CO
InChI
InChI=1S/C12H16OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9,13H,10H2,1-3H3
InChIKey
UZZXLCBJBRCJMC-UHFFFAOYSA-N
Synonyms
(3-((Trimethylsilyl)ethynyl)phenyl)methanol MFCD30537097 3-[(Trimethylsilyl)ethynyl]benzyl Alcohol [3-(2-trimethylsilylethynyl)phenyl]methanol SCHEMBL3351697

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.59
TPSA
20.23

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.26

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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