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CAS 17873-01-7 Trimethoxy(p-tolyl)silane molecular structure lightbox
CAS RN: 17873-01-7

Trimethoxy(p-tolyl)silane

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250530 25g In stock Shanghai Inquiry
Batchno.20250331 5g In stock Shanghai Inquiry
  • Product code: ICTT2560
  • Purity/Analytical Methods: >97.0%(GC)
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17873-01-7 / trimethoxy-(4-methylphenyl)silane

Standard CAS: 17873-01-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17873-01-7
Multi CAS
No
Molecular Formula
C10H16O3Si
Molecular Weight
212.320000
Exact Mass
212.086871
SMILES
CC1=CC=C(C=C1)[Si](OC)(OC)OC
InChI
InChI=1S/C10H16O3Si/c1-9-5-7-10(8-6-9)14(11-2,12-3)13-4/h5-8H,1-4H3
InChIKey
XQEGZYAXBCFSBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
57.59
TPSA
27.69

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.08
Consensus LogP
1.04
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.25

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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